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CAS 151389-99-0 2-Pyrimidinamine, N-(2-methylpropyl)- molecular structure lightbox
CAS RN: 151389-99-0

2-Pyrimidinamine, N-(2-methylpropyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS151389-99-0
  • Purity/Analytical Methods: >99.0%
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151389-99-0 / N-(2-methylpropyl)pyrimidin-2-amine

Standard CAS: 151389-99-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151389-99-0
Multi CAS
No
Molecular Formula
C8H13N3
Molecular Weight
151.210000
Exact Mass
151.110947
SMILES
CC(C)CNC1=NC=CC=N1
InChI
InChI=1S/C8H13N3/c1-7(2)6-11-8-9-4-3-5-10-8/h3-5,7H,6H2,1-2H3,(H,9,10,11)
InChIKey
KXCWPZCIOOLNOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.36
TPSA
37.81

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
1.9
Consensus LogP
1.6
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-2.55

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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