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CAS 1555988-00-5 2-Methoxy-6-Phenylpyrimidin-4-Amine molecular structure lightbox
CAS RN: 1555988-00-5

2-Methoxy-6-Phenylpyrimidin-4-Amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250225 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1555988-00-5
  • Purity/Analytical Methods: >99.0%
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1555988-00-5 / 2-methoxy-6-phenylpyrimidin-4-amine

Standard CAS: 1555988-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1555988-00-5
Multi CAS
No
Molecular Formula
C11H11N3O
Molecular Weight
201.220000
Exact Mass
201.090212
SMILES
COC1=NC(=CC(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3O/c1-15-11-13-9(7-10(12)14-11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14)
InChIKey
DVJJWXUBWTZUTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.43
TPSA
61.03

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.8
Consensus LogP
1.69
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

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

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