5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

C6H9N3OS — CID 135703379

IUPAC5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C)c(N)c(=O)[nH]1
InChIInChI=1S/C6H9N3OS/c1-3-4(7)5(10)9-6(8-3)11-2/h7H2,1-2H3,(H,8,9,10)
InChIKeyKHBOGIRMDAFZGT-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.38
Rot. Bonds1

About 5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135703379) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135703379
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C)c(N)c(=O)[nH]1
InChIInChI=1S/C6H9N3OS/c1-3-4(7)5(10)9-6(8-3)11-2/h7H2,1-2H3,(H,8,9,10)
InChIKeyKHBOGIRMDAFZGT-UHFFFAOYSA-N
XLogP0.38
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-(methylsulfanyl)pyrimidin-4(1H)-one
CID 135400507
5-Amino-6-hydroxy-2-(methylthio)-4-pyrimidinecarboxamide
CID 135427552
5,6-Diamino-4-hydroxy-2-methylthiopyrimidine
CID 135474963
AC1Lgcs5
CID 135481527
5,6-Dimethyl-2-(methylsulfanyl)pyrimidin-4(1h)-one
CID 135494970
6-Hydroxy-2-(methylthio)pyrimidine-4-carboxamide
CID 135416990
n-[6-Methyl-2-(methylsulfanyl)-4-oxo-1,4-dihydropyrimidin-5-yl]acetamide
CID 135416609
6-Amino-5-(methylideneamino)-2-(methylsulfanyl)pyrimidin-4(1H)-one
CID 136235091
5-fluoro-4-(fluoromethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135420617
5-Fluoro-6-methyl-2-(methylthio)pyrimidin-4-ol
CID 135741925
2-(Ethylthio)-5-fluoro-6-methyl-4(3H)-pyrimidinone
CID 137206204
6-(Difluoromethyl)-5-fluoro-2-(methylthio)pyrimidin-4-ol
CID 165368612

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135703379) is 5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(C)c(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is KHBOGIRMDAFZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-3-4(7)5(10)9-6(8-3)11-2/h7H2,1-2H3,(H,8,9,10).
What are the key properties of 5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 171.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135703379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).