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CAS 19875-04-8 4(1H)-Pyrimidinone, 2-methyl- (8CI,9CI) molecular structure lightbox
CAS RN: 19875-04-8

4(1H)-Pyrimidinone, 2-methyl- (8CI,9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19875-04-8
  • Purity/Analytical Methods: >99.0%
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19875-04-8 / 2-methyl-1H-pyrimidin-6-one

Standard CAS: 19875-04-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19875-04-8
Multi CAS
No
Molecular Formula
C5H6N2O
Molecular Weight
110.110000
Exact Mass
110.048013
SMILES
CC1=NC=CC(=O)N1
InChI
InChI=1S/C5H6N2O/c1-4-6-3-2-5(8)7-4/h2-3H,1H3,(H,6,7,8)
InChIKey
QWIDYOLZFAQBOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
29.59
TPSA
45.75

LogP / Solubility

WLOGP
0.08
MLOGP
0.06
XLogP3
-0.4
Consensus LogP
-0.09
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
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)
-3.34

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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