N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C16H26N4OS — CID 119591556

IUPACN-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)NC(CN)C2CCCCC2)n1
InChIInChI=1S/C16H26N4OS/c1-11-8-12(2)19-16(18-11)22-10-15(21)20-14(9-17)13-6-4-3-5-7-13/h8,13-14H,3-7,9-10,17H2,1-2H3,(H,20,21)
InChIKeyUUPFHDWNTYXOGZ-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.21
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 119591556) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID119591556
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)NC(CN)C2CCCCC2)n1
InChIInChI=1S/C16H26N4OS/c1-11-8-12(2)19-16(18-11)22-10-15(21)20-14(9-17)13-6-4-3-5-7-13/h8,13-14H,3-7,9-10,17H2,1-2H3,(H,20,21)
InChIKeyUUPFHDWNTYXOGZ-UHFFFAOYSA-N
XLogP2.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 119591556) is N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)NC(CN)C2CCCCC2)n1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is UUPFHDWNTYXOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-11-8-12(2)19-16(18-11)22-10-15(21)20-14(9-17)13-6-4-3-5-7-13/h8,13-14H,3-7,9-10,17H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 322.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 119591556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).