2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one

C20H16FN5O — CID 135645108

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one
SMILESCc1ccc2c(C)nc(Nc3nc(-c4ccc(F)cc4)cc(=O)[nH]3)nc2c1
InChIInChI=1S/C20H16FN5O/c1-11-3-8-15-12(2)22-19(24-17(15)9-11)26-20-23-16(10-18(27)25-20)13-4-6-14(21)7-5-13/h3-10H,1-2H3,(H2,22,23,24,25,26,27)
InChIKeyAUWQZQXHCAOWIP-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.88
Rot. Bonds3

About 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one

2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 135645108) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID135645108
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one
SMILESCc1ccc2c(C)nc(Nc3nc(-c4ccc(F)cc4)cc(=O)[nH]3)nc2c1
InChIInChI=1S/C20H16FN5O/c1-11-3-8-15-12(2)22-19(24-17(15)9-11)26-20-23-16(10-18(27)25-20)13-4-6-14(21)7-5-13/h3-10H,1-2H3,(H2,22,23,24,25,26,27)
InChIKeyAUWQZQXHCAOWIP-UHFFFAOYSA-N
XLogP3.88
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one (CID 135645108) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one is Cc1ccc2c(C)nc(Nc3nc(-c4ccc(F)cc4)cc(=O)[nH]3)nc2c1.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is AUWQZQXHCAOWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-11-3-8-15-12(2)22-19(24-17(15)9-11)26-20-23-16(10-18(27)25-20)13-4-6-14(21)7-5-13/h3-10H,1-2H3,(H2,22,23,24,25,26,27).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 361.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135645108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).