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CAS 1197-04-2 6-HYDROXY-2-(1-METHYLETHYL)-4(3H)-PYRIMIDINONE molecular structure lightbox
CAS RN: 1197-04-2

6-HYDROXY-2-(1-METHYLETHYL)-4(3H)-PYRIMIDINONE

  • Product code: SSC-020373
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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 1197-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1197-04-2 / 4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one

AC1LDWNN | DTXSID60350295 | RefChem:313921

Standard CAS: 1197-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197-04-2
Multi CAS
No
Molecular Formula
C7H10N2O2
Molecular Weight
154.170000
Exact Mass
154.074228
SMILES
CC(C)C1=NC(=CC(=O)N1)O
InChI
InChI=1S/C7H10N2O2/c1-4(2)7-8-5(10)3-6(11)9-7/h3-4H,1-2H3,(H2,8,9,10,11)
InChIKey
DOZKGELCYBIBBZ-UHFFFAOYSA-N
Synonyms
AC1LDWNN DTXSID60350295 RefChem:313921 DTXCID20301364 6-Hydroxy-2-isopropylpyrimidin-4(3H)-one

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.61
TPSA
65.98

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
XLogP3
0.2
Consensus LogP
0.44
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
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)
-3.24

Drug-likeness / Medicinal Chemistry

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

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