6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one

C20H16N4O — CID 167835199

IUPAC6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one
SMILESCc1cc2nc(-c3ncc(-c4ccccc4)cn3)[nH]c(=O)c2cc1C
InChIInChI=1S/C20H16N4O/c1-12-8-16-17(9-13(12)2)23-19(24-20(16)25)18-21-10-15(11-22-18)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,23,24,25)
InChIKeyGZXNMBSWBFOMNB-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.66
Rot. Bonds2

About 6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one

6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one (PubChem CID 167835199) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one
PubChem CID167835199
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one
SMILESCc1cc2nc(-c3ncc(-c4ccccc4)cn3)[nH]c(=O)c2cc1C
InChIInChI=1S/C20H16N4O/c1-12-8-16-17(9-13(12)2)23-19(24-20(16)25)18-21-10-15(11-22-18)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,23,24,25)
InChIKeyGZXNMBSWBFOMNB-UHFFFAOYSA-N
XLogP3.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one (CID 167835199) is 6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one is Cc1cc2nc(-c3ncc(-c4ccccc4)cn3)[nH]c(=O)c2cc1C.
What is the InChIKey of 6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one?
The InChIKey is GZXNMBSWBFOMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-12-8-16-17(9-13(12)2)23-19(24-20(16)25)18-21-10-15(11-22-18)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,23,24,25).
What are the key properties of 6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one?
6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one has a molecular weight of 328.38 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 167835199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).