7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one

C15H16N4O — CID 115528248

IUPAC7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one
SMILESCc1nccc(-c2ncc3c(n2)CC(C)(C)CC3=O)n1
InChIInChI=1S/C15H16N4O/c1-9-16-5-4-11(18-9)14-17-8-10-12(19-14)6-15(2,3)7-13(10)20/h4-5,8H,6-7H2,1-3H3
InChIKeySMUVQAZVXQRRPL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.40
Rot. Bonds1

About 7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one

7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one (PubChem CID 115528248) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one
PubChem CID115528248
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one
SMILESCc1nccc(-c2ncc3c(n2)CC(C)(C)CC3=O)n1
InChIInChI=1S/C15H16N4O/c1-9-16-5-4-11(18-9)14-17-8-10-12(19-14)6-15(2,3)7-13(10)20/h4-5,8H,6-7H2,1-3H3
InChIKeySMUVQAZVXQRRPL-UHFFFAOYSA-N
XLogP2.40
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one (CID 115528248) is 7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one is Cc1nccc(-c2ncc3c(n2)CC(C)(C)CC3=O)n1.
What is the InChIKey of 7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one?
The InChIKey is SMUVQAZVXQRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-16-5-4-11(18-9)14-17-8-10-12(19-14)6-15(2,3)7-13(10)20/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one has a molecular weight of 268.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 115528248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).