2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one

C25H21N5O2 — CID 71681337

IUPAC2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1ccc(-c2cc(-c3ccc(C4NC(=O)c5ccccc5N4)cc3)nc(N)n2)cc1
InChIInChI=1S/C25H21N5O2/c1-32-18-12-10-16(11-13-18)22-14-21(28-25(26)29-22)15-6-8-17(9-7-15)23-27-20-5-3-2-4-19(20)24(31)30-23/h2-14,23,27H,1H3,(H,30,31)(H2,26,28,29)
InChIKeyGVGLGVRAHSBMFI-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.26
Rot. Bonds4

About 2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one

2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 71681337) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one
PubChem CID71681337
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1ccc(-c2cc(-c3ccc(C4NC(=O)c5ccccc5N4)cc3)nc(N)n2)cc1
InChIInChI=1S/C25H21N5O2/c1-32-18-12-10-16(11-13-18)22-14-21(28-25(26)29-22)15-6-8-17(9-7-15)23-27-20-5-3-2-4-19(20)24(31)30-23/h2-14,23,27H,1H3,(H,30,31)(H2,26,28,29)
InChIKeyGVGLGVRAHSBMFI-UHFFFAOYSA-N
XLogP4.26
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one (CID 71681337) is 2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one is COc1ccc(-c2cc(-c3ccc(C4NC(=O)c5ccccc5N4)cc3)nc(N)n2)cc1.
What is the InChIKey of 2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is GVGLGVRAHSBMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-32-18-12-10-16(11-13-18)22-14-21(28-25(26)29-22)15-6-8-17(9-7-15)23-27-20-5-3-2-4-19(20)24(31)30-23/h2-14,23,27H,1H3,(H,30,31)(H2,26,28,29).
What are the key properties of 2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one?
2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 423.48 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 71681337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).