2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one

C19H15N5O — CID 135407551

IUPAC2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one
SMILESCc1nc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)nc2ccccc12
InChIInChI=1S/C19H15N5O/c1-12-14-9-5-6-10-15(14)21-18(20-12)24-19-22-16(11-17(25)23-19)13-7-3-2-4-8-13/h2-11H,1H3,(H2,20,21,22,23,24,25)
InChIKeyVCZKMOAQDFHXKR-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.43
Rot. Bonds3

About 2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one

2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135407551) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one
PubChem CID135407551
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one
SMILESCc1nc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)nc2ccccc12
InChIInChI=1S/C19H15N5O/c1-12-14-9-5-6-10-15(14)21-18(20-12)24-19-22-16(11-17(25)23-19)13-7-3-2-4-8-13/h2-11H,1H3,(H2,20,21,22,23,24,25)
InChIKeyVCZKMOAQDFHXKR-UHFFFAOYSA-N
XLogP3.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one (CID 135407551) is 2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one is Cc1nc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)nc2ccccc12.
What is the InChIKey of 2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is VCZKMOAQDFHXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-12-14-9-5-6-10-15(14)21-18(20-12)24-19-22-16(11-17(25)23-19)13-7-3-2-4-8-13/h2-11H,1H3,(H2,20,21,22,23,24,25).
What are the key properties of 2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one?
2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 329.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135407551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).