4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one

C9H10N6OS — CID 136726580

IUPAC4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNc1cnc(CSc2nc(N)cc(=O)[nH]2)cn1
InChIInChI=1S/C9H10N6OS/c10-6-1-8(16)15-9(14-6)17-4-5-2-13-7(11)3-12-5/h1-3H,4H2,(H2,11,13)(H3,10,14,15,16)
InChIKeyVAMUHRPOFKBZNQ-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.02
Rot. Bonds3

About 4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one

4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 136726580) has the molecular formula C9H10N6OS and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID136726580
Molecular FormulaC9H10N6OS
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC Name4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNc1cnc(CSc2nc(N)cc(=O)[nH]2)cn1
InChIInChI=1S/C9H10N6OS/c10-6-1-8(16)15-9(14-6)17-4-5-2-13-7(11)3-12-5/h1-3H,4H2,(H2,11,13)(H3,10,14,15,16)
InChIKeyVAMUHRPOFKBZNQ-UHFFFAOYSA-N
XLogP0.02
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-aminopyrazin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136980695
4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135772618
4-amino-2-benzylsulfanyl-1H-pyrimidin-6-one
CID 135412524
4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136733822
4-amino-2-(2-bromoethylsulfanyl)-1H-pyrimidin-6-one
CID 135703673
4-amino-2-(2-amino-2-phenylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135965777
4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135500710
4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135473743
4-amino-2-[(4-bromothiophen-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135991818
4-amino-2-[(2,4-dimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135473640
4-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanenitrile
CID 135990090
4-amino-2-[(3-iodophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135476156

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 136726580) is 4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one is Nc1cnc(CSc2nc(N)cc(=O)[nH]2)cn1.
What is the InChIKey of 4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is VAMUHRPOFKBZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS/c10-6-1-8(16)15-9(14-6)17-4-5-2-13-7(11)3-12-5/h1-3H,4H2,(H2,11,13)(H3,10,14,15,16).
What are the key properties of 4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one?
4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 250.29 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136726580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).