7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one

C20H17N5O — CID 135426178

IUPAC7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
SMILESCc1ccc2c(=O)[nH]c(Nc3nc(C)cc(-c4ccccc4)n3)nc2c1
InChIInChI=1S/C20H17N5O/c1-12-8-9-15-17(10-12)23-20(24-18(15)26)25-19-21-13(2)11-16(22-19)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyWCARDDDMQORATQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.74
Rot. Bonds3

About 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one

7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 135426178) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
PubChem CID135426178
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
SMILESCc1ccc2c(=O)[nH]c(Nc3nc(C)cc(-c4ccccc4)n3)nc2c1
InChIInChI=1S/C20H17N5O/c1-12-8-9-15-17(10-12)23-20(24-18(15)26)25-19-21-13(2)11-16(22-19)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyWCARDDDMQORATQ-UHFFFAOYSA-N
XLogP3.74
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one (CID 135426178) is 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one is Cc1ccc2c(=O)[nH]c(Nc3nc(C)cc(-c4ccccc4)n3)nc2c1.
What is the InChIKey of 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is WCARDDDMQORATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-12-8-9-15-17(10-12)23-20(24-18(15)26)25-19-21-13(2)11-16(22-19)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,21,22,23,24,25,26).
What are the key properties of 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one has a molecular weight of 343.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 135426178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).