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CAS 1368911-16-3 5-Pyrimidinamine, 4-methyl-6-(1-methylethyl)- molecular structure lightbox
CAS RN: 1368911-16-3

5-Pyrimidinamine, 4-methyl-6-(1-methylethyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1368911-16-3
  • Purity/Analytical Methods: >99.0%
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1368911-16-3 / 4-methyl-6-propan-2-ylpyrimidin-5-amine

Standard CAS: 1368911-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1368911-16-3
Multi CAS
No
Molecular Formula
C8H13N3
Molecular Weight
151.210000
Exact Mass
151.110947
SMILES
CC1=C(C(=NC=N1)C(C)C)N
InChI
InChI=1S/C8H13N3/c1-5(2)8-7(9)6(3)10-4-11-8/h4-5H,9H2,1-3H3
InChIKey
VBSPSAYTRLYJRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.27
TPSA
51.8

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.1
Consensus LogP
1.3
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-2.58

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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