2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one

C15H14N4O2S — CID 135783760

IUPAC2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one
SMILESCc1cc(=O)[nH]c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C15H14N4O2S/c1-8-7-12(20)18-15(16-8)22-9(2)13-17-11-6-4-3-5-10(11)14(21)19-13/h3-7,9H,1-2H3,(H,16,18,20)(H,17,19,21)/t9-/m1/s1
InChIKeyCCKUEIYQKGCIQV-SECBINFHSA-N
MW314.37 g/mol
LogP2.17
Rot. Bonds3

About 2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one

2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one (PubChem CID 135783760) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one
PubChem CID135783760
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one
SMILESCc1cc(=O)[nH]c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C15H14N4O2S/c1-8-7-12(20)18-15(16-8)22-9(2)13-17-11-6-4-3-5-10(11)14(21)19-13/h3-7,9H,1-2H3,(H,16,18,20)(H,17,19,21)/t9-/m1/s1
InChIKeyCCKUEIYQKGCIQV-SECBINFHSA-N
XLogP2.17
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[(1R)-1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135816771
2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135618641
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135467192
2-[(1S)-1-(1-methylimidazol-2-yl)sulfanylethyl]-3H-quinazolin-4-one
CID 136697098
2-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135687473
2-[(1R)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135622917
2-[(1S)-1-[(2-methylphenyl)methylsulfanyl]ethyl]-3H-quinazolin-4-one
CID 136835934
2-[(1S)-1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-3H-quinazolin-4-one
CID 135751220
2-[(1S)-1-(7H-purin-6-ylsulfanyl)ethyl]-3H-quinazolin-4-one
CID 136911416
2-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-3H-quinazolin-4-one
CID 136866496
5-(4-fluorophenyl)-2-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 135938658
2-(dimethoxymethyl)-3H-quinazolin-4-one
CID 135453675

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one (CID 135783760) is 2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one is Cc1cc(=O)[nH]c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1.
What is the InChIKey of 2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one?
The InChIKey is CCKUEIYQKGCIQV-SECBINFHSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8-7-12(20)18-15(16-8)22-9(2)13-17-11-6-4-3-5-10(11)14(21)19-13/h3-7,9H,1-2H3,(H,16,18,20)(H,17,19,21)/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one?
2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one has a molecular weight of 314.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135783760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).