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CAS 1131605-06-5 2-Methyl-4-pyrimidinemethanol molecular structure lightbox
CAS RN: 1131605-06-5

2-Methyl-4-pyrimidinemethanol

  • Product code: SSC-013335
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1131605-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1131605-06-5 / (2-methylpyrimidin-4-yl)methanol

6-amino-2-methylpyridin-3-ol | MFCD13175446 | 6-Amino-3-hydroxy-2-methylpyridine

Standard CAS: 1131605-06-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1131605-06-5
Multi CAS
Yes
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
SMILES
CC1=NC=CC(=N1)CO
InChI
InChI=1S/C6H8N2O/c1-5-7-3-2-6(4-9)8-5/h2-3,9H,4H2,1H3
InChIKey
WZAMGKJWSAIQMX-UHFFFAOYSA-N
Synonyms
6-amino-2-methylpyridin-3-ol MFCD13175446 6-Amino-3-hydroxy-2-methylpyridine SCHEMBL2828386 6-azanyl-2-methyl-pyridin-3-ol

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.69
TPSA
46.01

LogP / Solubility

WLOGP
0.28
MLOGP
0.23
XLogP3
-0.2
Consensus LogP
0.1
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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