N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C14H21N3OS — CID 712737

IUPACN-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H21N3OS/c1-10-8-11(2)16-14(15-10)19-9-13(18)17-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,17,18)
InChIKeySVZKZESOSTVEDS-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.63
Rot. Bonds4

About N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 712737) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID712737
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H21N3OS/c1-10-8-11(2)16-14(15-10)19-9-13(18)17-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,17,18)
InChIKeySVZKZESOSTVEDS-UHFFFAOYSA-N
XLogP2.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-cyclohexyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-
CID 719034
3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-ethylpropanamide
CID 6483849
N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
CID 1457998
2-(4-Amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 4430216
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetamide
CID 840853
3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
CID 653464
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N,N-diethylacetamide
CID 695459
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 975959
N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2442329
N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
CID 2772852
N-Cyclohexyl-2-(4-methyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 2979066
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 4335113

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 712737) is N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is SVZKZESOSTVEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-8-11(2)16-14(15-10)19-9-13(18)17-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 279.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 712737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).