8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one

C14H12N4OS — CID 135566723

IUPAC8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(CSc3ncccn3)nc12
InChIInChI=1S/C14H12N4OS/c1-9-4-2-5-10-12(9)17-11(18-13(10)19)8-20-14-15-6-3-7-16-14/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyANAUZAZPUGQDNM-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.31
Rot. Bonds3

About 8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one

8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one (PubChem CID 135566723) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one
PubChem CID135566723
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(CSc3ncccn3)nc12
InChIInChI=1S/C14H12N4OS/c1-9-4-2-5-10-12(9)17-11(18-13(10)19)8-20-14-15-6-3-7-16-14/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyANAUZAZPUGQDNM-UHFFFAOYSA-N
XLogP2.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one (CID 135566723) is 8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one is Cc1cccc2c(=O)[nH]c(CSc3ncccn3)nc12.
What is the InChIKey of 8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one?
The InChIKey is ANAUZAZPUGQDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-9-4-2-5-10-12(9)17-11(18-13(10)19)8-20-14-15-6-3-7-16-14/h2-7H,8H2,1H3,(H,17,18,19).
What are the key properties of 8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one?
8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one has a molecular weight of 284.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135566723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).