2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one

C20H17N5O2 — CID 135414178

IUPAC2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccc2c(C)nc(Nc3nc(-c4ccccc4)cc(=O)[nH]3)nc2c1
InChIInChI=1S/C20H17N5O2/c1-12-15-9-8-14(27-2)10-17(15)23-19(21-12)25-20-22-16(11-18(26)24-20)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyNVMIBYLXLVBCEV-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.44
Rot. Bonds4

About 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one

2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135414178) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one
PubChem CID135414178
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccc2c(C)nc(Nc3nc(-c4ccccc4)cc(=O)[nH]3)nc2c1
InChIInChI=1S/C20H17N5O2/c1-12-15-9-8-14(27-2)10-17(15)23-19(21-12)25-20-22-16(11-18(26)24-20)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyNVMIBYLXLVBCEV-UHFFFAOYSA-N
XLogP3.44
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one (CID 135414178) is 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one is COc1ccc2c(C)nc(Nc3nc(-c4ccccc4)cc(=O)[nH]3)nc2c1.
What is the InChIKey of 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is NVMIBYLXLVBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-15-9-8-14(27-2)10-17(15)23-19(21-12)25-20-22-16(11-18(26)24-20)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,21,22,23,24,25,26).
What are the key properties of 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one?
2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 359.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135414178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).