2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide

C18H22N4O2S — CID 650346

IUPAC2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide
SMILESNc1cc(=O)nc(SCC(=O)NC2CCCCC2)n1-c1ccccc1
InChIInChI=1S/C18H22N4O2S/c19-15-11-16(23)21-18(22(15)14-9-5-2-6-10-14)25-12-17(24)20-13-7-3-1-4-8-13/h2,5-6,9-11,13H,1,3-4,7-8,12,19H2,(H,20,24)
InChIKeyYNLJUIMYQLRCKH-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.36
Rot. Bonds5

About 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide

2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide (PubChem CID 650346) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide
PubChem CID650346
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide
SMILESNc1cc(=O)nc(SCC(=O)NC2CCCCC2)n1-c1ccccc1
InChIInChI=1S/C18H22N4O2S/c19-15-11-16(23)21-18(22(15)14-9-5-2-6-10-14)25-12-17(24)20-13-7-3-1-4-8-13/h2,5-6,9-11,13H,1,3-4,7-8,12,19H2,(H,20,24)
InChIKeyYNLJUIMYQLRCKH-UHFFFAOYSA-N
XLogP2.36
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide?
The IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide (CID 650346) is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide is Nc1cc(=O)nc(SCC(=O)NC2CCCCC2)n1-c1ccccc1.
What is the InChIKey of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide?
The InChIKey is YNLJUIMYQLRCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c19-15-11-16(23)21-18(22(15)14-9-5-2-6-10-14)25-12-17(24)20-13-7-3-1-4-8-13/h2,5-6,9-11,13H,1,3-4,7-8,12,19H2,(H,20,24).
What are the key properties of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide?
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide has a molecular weight of 358.47 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide is sourced from PubChem (CID 650346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).