2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide

C14H19N5OS — CID 17186573

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1ncc(C#N)c(N)n1)C1CCCCC1
InChIInChI=1S/C14H19N5OS/c1-19(11-5-3-2-4-6-11)12(20)9-21-14-17-8-10(7-15)13(16)18-14/h8,11H,2-6,9H2,1H3,(H2,16,17,18)
InChIKeyDCQNIMXPJLNZHN-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide (PubChem CID 17186573) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
PubChem CID17186573
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1ncc(C#N)c(N)n1)C1CCCCC1
InChIInChI=1S/C14H19N5OS/c1-19(11-5-3-2-4-6-11)12(20)9-21-14-17-8-10(7-15)13(16)18-14/h8,11H,2-6,9H2,1H3,(H2,16,17,18)
InChIKeyDCQNIMXPJLNZHN-UHFFFAOYSA-N
XLogP1.81
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.81
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-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide (CID 17186573) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide is CN(C(=O)CSc1ncc(C#N)c(N)n1)C1CCCCC1.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The InChIKey is DCQNIMXPJLNZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-19(11-5-3-2-4-6-11)12(20)9-21-14-17-8-10(7-15)13(16)18-14/h8,11H,2-6,9H2,1H3,(H2,16,17,18).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide has a molecular weight of 305.41 g/mol, XLogP of 1.81, 4 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-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 17186573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).