2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide

C14H22N4OS — CID 120601292

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NC2CCNC(C)C2)n1
InChIInChI=1S/C14H22N4OS/c1-9-7-12(4-5-15-9)18-13(19)8-20-14-16-10(2)6-11(3)17-14/h6,9,12,15H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyUATPYRIHPPCIMI-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.44
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide (PubChem CID 120601292) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
PubChem CID120601292
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NC2CCNC(C)C2)n1
InChIInChI=1S/C14H22N4OS/c1-9-7-12(4-5-15-9)18-13(19)8-20-14-16-10(2)6-11(3)17-14/h6,9,12,15H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyUATPYRIHPPCIMI-UHFFFAOYSA-N
XLogP1.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389604
2-(2-methylphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120600777
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354
3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598283
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 18130863
N-(4-methylcyclohexyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730989
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55428451
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995546
3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598164
1-cyclohexyl-3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]thiourea
CID 4684324
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide (CID 120601292) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide is Cc1cc(C)nc(SCC(=O)NC2CCNC(C)C2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide?
The InChIKey is UATPYRIHPPCIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9-7-12(4-5-15-9)18-13(19)8-20-14-16-10(2)6-11(3)17-14/h6,9,12,15H,4-5,7-8H2,1-3H3,(H,18,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide has a molecular weight of 294.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120601292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).