4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one

C10H10N4OS — CID 135772618

IUPAC4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCc2ccccn2)n1
InChIInChI=1S/C10H10N4OS/c11-8-5-9(15)14-10(13-8)16-6-7-3-1-2-4-12-7/h1-5H,6H2,(H3,11,13,14,15)
InChIKeyJRJPTRXIDHZLCN-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.04
Rot. Bonds3

About 4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one

4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 135772618) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID135772618
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCc2ccccn2)n1
InChIInChI=1S/C10H10N4OS/c11-8-5-9(15)14-10(13-8)16-6-7-3-1-2-4-12-7/h1-5H,6H2,(H3,11,13,14,15)
InChIKeyJRJPTRXIDHZLCN-UHFFFAOYSA-N
XLogP1.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-benzylsulfanyl-1H-pyrimidin-6-one
CID 135412524
2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 19829479
4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136726580
4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135500710
4-amino-2-(2-amino-2-phenylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135965777
4-amino-2-[(3-iodophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135476156
4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one
CID 139462677
4-amino-2-[(2,4-dimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135473640
4-ethyl-5-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135400715
4-amino-2-[(3-amino-4-bromophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136999058
5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 101040135
4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135463640

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one (CID 135772618) is 4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(SCc2ccccn2)n1.
What is the InChIKey of 4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is JRJPTRXIDHZLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-8-5-9(15)14-10(13-8)16-6-7-3-1-2-4-12-7/h1-5H,6H2,(H3,11,13,14,15).
What are the key properties of 4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 234.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135772618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).