2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide

C19H27N5OS — CID 1374324

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide
SMILESN#Cc1cnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc1N
InChIInChI=1S/C19H27N5OS/c20-11-14-12-22-19(23-18(14)21)26-13-17(25)24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h12,15-16H,1-10,13H2,(H2,21,22,23)
InChIKeyICBKNLSZGHZEIT-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.52
Rot. Bonds5

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide (PubChem CID 1374324) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide
PubChem CID1374324
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide
SMILESN#Cc1cnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc1N
InChIInChI=1S/C19H27N5OS/c20-11-14-12-22-19(23-18(14)21)26-13-17(25)24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h12,15-16H,1-10,13H2,(H2,21,22,23)
InChIKeyICBKNLSZGHZEIT-UHFFFAOYSA-N
XLogP3.52
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide (CID 1374324) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide is N#Cc1cnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc1N.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide?
The InChIKey is ICBKNLSZGHZEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c20-11-14-12-22-19(23-18(14)21)26-13-17(25)24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h12,15-16H,1-10,13H2,(H2,21,22,23).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide has a molecular weight of 373.53 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide is sourced from PubChem (CID 1374324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).