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CAS 511514-03-7 4-phenyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine molecular structure lightbox
CAS RN: 511514-03-7

4-phenyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 5mg / 10mg / 25mg Out of stock 30 business days Inquiry
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  • Product code: starshine_CAS511514-03-7
  • Purity/Analytical Methods: >99.0%
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511514-03-7 / 4-phenyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine

Standard CAS: 511514-03-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
511514-03-7
Multi CAS
Yes
Molecular Formula
C21H21N5
Molecular Weight
343.400000
Exact Mass
343.179696
InChI
InChI=1S/C21H21N5/c1-14-13-21(2,3)26-20(22-14)25-19-23-17-12-8-7-11-16(17)18(24-19)15-9-5-4-6-10-15/h4-13H,1-3H3,(H2,22,23,24,25,26)
InChIKey
DXICUHJLOMNKOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
107
TPSA
62.2

LogP / Solubility

WLOGP
4.35
MLOGP
3.85
XLogP3
3.7
Consensus LogP
3.97
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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