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

C24H32N4O2S — CID 1258290

IUPAC2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide
SMILESNc1cc(=O)nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1-c1ccccc1
InChIInChI=1S/C24H32N4O2S/c25-21-16-22(29)26-24(28(21)20-14-8-3-9-15-20)31-17-23(30)27(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h3,8-9,14-16,18-19H,1-2,4-7,10-13,17,25H2
InChIKeyRSOVXZFNYOGIRI-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.40
Rot. Bonds6

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

2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide (PubChem CID 1258290) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide.

Molecular Properties

Compound Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide
PubChem CID1258290
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide
SMILESNc1cc(=O)nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1-c1ccccc1
InChIInChI=1S/C24H32N4O2S/c25-21-16-22(29)26-24(28(21)20-14-8-3-9-15-20)31-17-23(30)27(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h3,8-9,14-16,18-19H,1-2,4-7,10-13,17,25H2
InChIKeyRSOVXZFNYOGIRI-UHFFFAOYSA-N
XLogP4.40
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.40
H-Bond Donors ≤ 51
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,N-dicyclohexylacetamide?
The IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide (CID 1258290) is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide.
What is the SMILES notation for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide?
The canonical SMILES for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide is Nc1cc(=O)nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1-c1ccccc1.
What is the InChIKey of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide?
The InChIKey is RSOVXZFNYOGIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c25-21-16-22(29)26-24(28(21)20-14-8-3-9-15-20)31-17-23(30)27(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h3,8-9,14-16,18-19H,1-2,4-7,10-13,17,25H2.
What are the key properties of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide?
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide has a molecular weight of 440.61 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 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,N-dicyclohexylacetamide is sourced from PubChem (CID 1258290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).