7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one

C15H14N4OS — CID 137332078

IUPAC7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one
SMILESCc1ccc2c(=O)[nH]c(CSc3ncccn3)nc2c1C
InChIInChI=1S/C15H14N4OS/c1-9-4-5-11-13(10(9)2)18-12(19-14(11)20)8-21-15-16-6-3-7-17-15/h3-7H,8H2,1-2H3,(H,18,19,20)
InChIKeyNHFMMPLQVIZDPX-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.62
Rot. Bonds3

About 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one

7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one (PubChem CID 137332078) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one
PubChem CID137332078
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one
SMILESCc1ccc2c(=O)[nH]c(CSc3ncccn3)nc2c1C
InChIInChI=1S/C15H14N4OS/c1-9-4-5-11-13(10(9)2)18-12(19-14(11)20)8-21-15-16-6-3-7-17-15/h3-7H,8H2,1-2H3,(H,18,19,20)
InChIKeyNHFMMPLQVIZDPX-UHFFFAOYSA-N
XLogP2.62
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-((Z)-Amino(Imino)Methyl)-N-(4-(Aminomethyl)Phenyl)-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
CID 448605
3-(2-(2-aminopyrimidin-5-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11545702
6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
CID 10278414
8-Methyl-2-[(Pyrimidin-2-Ylsulfanyl)methyl]quinazolin-4(1h)-One
CID 135566723
PARP11 inhibitor ITK7
CID 137701959
N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 935780
4-(tert-butyl)-N-[2-(methylsulfanyl)-4-pyrimidinyl]benzenecarboxamide
CID 4267305
4-methyl-N-(2-methylphenyl)-2-(methylthio)pyrimidine-5-carboxamide
CID 20913554
N-(2,5-Dimethylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
CID 20913556
2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyrimidin-5-yl-butyl)-amide
CID 13557486
2,3-Dimethyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyrimidin-5-yl-butyl)-amide
CID 13557499
N-phenyl-4-[(2-pyrimidinylthio)methyl]benzamide
CID 851612

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one?
The IUPAC name of 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one (CID 137332078) is 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one?
The canonical SMILES for 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one is Cc1ccc2c(=O)[nH]c(CSc3ncccn3)nc2c1C.
What is the InChIKey of 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one?
The InChIKey is NHFMMPLQVIZDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-4-5-11-13(10(9)2)18-12(19-14(11)20)8-21-15-16-6-3-7-17-15/h3-7H,8H2,1-2H3,(H,18,19,20).
What are the key properties of 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one?
7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one has a molecular weight of 298.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 137332078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).