4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one

C10H8ClN3O2S2 — CID 135463366

IUPAC4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCC(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C10H8ClN3O2S2/c11-7-2-1-6(18-7)5(15)4-17-10-13-8(12)3-9(16)14-10/h1-3H,4H2,(H3,12,13,14,16)
InChIKeyUJGDRAUWUJSXEA-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.04
Rot. Bonds4

About 4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one

4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 135463366) has the molecular formula C10H8ClN3O2S2 and a molecular weight of 301.78 g/mol. Its IUPAC name is 4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID135463366
Molecular FormulaC10H8ClN3O2S2
Molecular Weight301.78 g/mol
Exact Mass300.97
IUPAC Name4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCC(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C10H8ClN3O2S2/c11-7-2-1-6(18-7)5(15)4-17-10-13-8(12)3-9(16)14-10/h1-3H,4H2,(H3,12,13,14,16)
InChIKeyUJGDRAUWUJSXEA-UHFFFAOYSA-N
XLogP2.04
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (CID 135463366) is 4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(SCC(=O)c2ccc(Cl)s2)n1.
What is the InChIKey of 4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is UJGDRAUWUJSXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S2/c11-7-2-1-6(18-7)5(15)4-17-10-13-8(12)3-9(16)14-10/h1-3H,4H2,(H3,12,13,14,16).
What are the key properties of 4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 301.78 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135463366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).