2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide

C12H11ClN4O2S — CID 135416141

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN4O2S/c13-7-2-1-3-8(4-7)15-11(19)6-20-12-16-9(14)5-10(18)17-12/h1-5H,6H2,(H,15,19)(H3,14,16,17,18)
InChIKeyNAQHWBOVTHHAHK-UHFFFAOYSA-N
MW310.77 g/mol
LogP1.74
Rot. Bonds4

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide (PubChem CID 135416141) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
PubChem CID135416141
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN4O2S/c13-7-2-1-3-8(4-7)15-11(19)6-20-12-16-9(14)5-10(18)17-12/h1-5H,6H2,(H,15,19)(H3,14,16,17,18)
InChIKeyNAQHWBOVTHHAHK-UHFFFAOYSA-N
XLogP1.74
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide (CID 135416141) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide is Nc1cc(=O)[nH]c(SCC(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide?
The InChIKey is NAQHWBOVTHHAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c13-7-2-1-3-8(4-7)15-11(19)6-20-12-16-9(14)5-10(18)17-12/h1-5H,6H2,(H,15,19)(H3,14,16,17,18).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide has a molecular weight of 310.77 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 135416141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).