6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one

C5H7N3OS — CID 816915

IUPAC6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one
SMILESCn1c(N)cc(=O)[nH]c1=S
InChIInChI=1S/C5H7N3OS/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10)
InChIKeyCIMIOUTTYHCOJU-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.03
Rot. Bonds

About 6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one

6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one (PubChem CID 816915) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one
PubChem CID816915
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one
SMILESCn1c(N)cc(=O)[nH]c1=S
InChIInChI=1S/C5H7N3OS/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10)
InChIKeyCIMIOUTTYHCOJU-UHFFFAOYSA-N
XLogP0.03
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-amino-1-methyl-2-sulfanylidenepyrimidin-4-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

Thiouracil
CID 1269845
6-Amino-2-thiouracil
CID 1201441
4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate
CID 2723599
6-amino-1-ethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 3983561
1H,3H-Pyrimidine-4-one-2-thione, 3-methyl-
CID 3036304
Mls002695332
CID 262392
1H,3H-Pyrimidine-4-one-2-thione, 1-methyl-
CID 3036305
1-Ethyl-2-thiouracil
CID 13705432
1-Allyl-2-thiouracil
CID 13153646
1Propylthiouracil
CID 15818192
6-Amino-1-prop-2-enyl-2-thioxo-1,3-dihydropyrimidin-4-one
CID 17604064
6-sulfanyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 20226060

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one (CID 816915) is 6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one is Cn1c(N)cc(=O)[nH]c1=S.
What is the InChIKey of 6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one?
The InChIKey is CIMIOUTTYHCOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10).
What are the key properties of 6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one?
6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one has a molecular weight of 157.20 g/mol, XLogP of 0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 816915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).