CAS RN: 1363383-16-7

4-Aminomethyl-6-methoxypyrimidine

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  • Product code: starshine_CAS1363383-16-7
  • Purity/Analytical Methods: >99.0%
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1363383-16-7 / (6-methoxypyrimidin-4-yl)methanamine

Standard CAS: 1363383-16-7 Multi CAS: No

Basic Information

CAS
1363383-16-7
Multi CAS
No
Molecular Formula
C6H9N3O
Molecular Weight
139.160000
Exact Mass
139.074562
SMILES
COC1=NC=NC(=C1)CN
InChI
InChI=1S/C6H9N3O/c1-10-6-2-5(3-7)8-4-9-6/h2,4H,3,7H2,1H3
InChIKey
GAQOJPOWNPLPHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.48
TPSA
61.03

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.06
XLogP3
-0.6
Consensus LogP
-0.24
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
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)
-3.61

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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