4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one

C11H12N4OS — CID 136833012

IUPAC4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H](C)Sc2cnccn2)n1
InChIInChI=1S/C11H12N4OS/c1-7-5-9(16)15-11(14-7)8(2)17-10-6-12-3-4-13-10/h3-6,8H,1-2H3,(H,14,15,16)/t8-/m0/s1
InChIKeyFXAWCXMVXVRRLE-QMMMGPOBSA-N
MW248.31 g/mol
LogP1.72
Rot. Bonds3

About 4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one

4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one (PubChem CID 136833012) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one
PubChem CID136833012
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H](C)Sc2cnccn2)n1
InChIInChI=1S/C11H12N4OS/c1-7-5-9(16)15-11(14-7)8(2)17-10-6-12-3-4-13-10/h3-6,8H,1-2H3,(H,14,15,16)/t8-/m0/s1
InChIKeyFXAWCXMVXVRRLE-QMMMGPOBSA-N
XLogP1.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
CID 136997551
2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930619
4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one
CID 136817047
2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135783760
2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136997554
4-methyl-2-[(1S)-1-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-pyrimidin-6-one
CID 136833006
(2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine
CID 114769896
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 136607679
2-[(1R)-1-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137024703
3-pyrazin-2-ylsulfanylbutan-1-ol
CID 66138101
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one (CID 136833012) is 4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@H](C)Sc2cnccn2)n1.
What is the InChIKey of 4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one?
The InChIKey is FXAWCXMVXVRRLE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-5-9(16)15-11(14-7)8(2)17-10-6-12-3-4-13-10/h3-6,8H,1-2H3,(H,14,15,16)/t8-/m0/s1.
What are the key properties of 4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one?
4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one has a molecular weight of 248.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136833012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).