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CAS 1071686-11-7 pyriMidin-5-ol HCl molecular structure lightbox
CAS RN: 1071686-11-7

pyriMidin-5-ol HCl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1071686-11-7
  • Purity/Analytical Methods: >99.0%
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1071686-11-7 / pyrimidin-5-ol;hydrochloride

Pyrimidin-5-ol hydrochloride | pyrimidin-5-ol;hydrochloride | Pyrimidin-5-olhydrochloride

Standard CAS: 1071686-11-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1071686-11-7
Multi CAS
No
Molecular Formula
C4H5ClN2O
Molecular Weight
132.550000
Exact Mass
132.009041
SMILES
C1=C(C=NC=N1)O.Cl
InChI
InChI=1S/C4H4N2O.ClH/c7-4-1-5-3-6-2-4;/h1-3,7H;1H
InChIKey
DWIPRWPIPUAHJN-UHFFFAOYSA-N
Synonyms
Pyrimidin-5-ol hydrochloride pyrimidin-5-ol;hydrochloride Pyrimidin-5-olhydrochloride SCHEMBL27433902 SB55950

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.94
TPSA
46.01

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
XLogP3
0.6
Consensus LogP
0.57
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
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)
-3.1

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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