2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide

C18H19N5OS — CID 55934058

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccccc2Cn2cccn2)n1
InChIInChI=1S/C18H19N5OS/c1-13-10-14(2)21-18(20-13)25-12-17(24)22-16-7-4-3-6-15(16)11-23-9-5-8-19-23/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyPRCJFEVELKGABV-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.07
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 55934058) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID55934058
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccccc2Cn2cccn2)n1
InChIInChI=1S/C18H19N5OS/c1-13-10-14(2)21-18(20-13)25-12-17(24)22-16-7-4-3-6-15(16)11-23-9-5-8-19-23/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyPRCJFEVELKGABV-UHFFFAOYSA-N
XLogP3.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440472
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide
CID 31465715
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
N-(2-ethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731070
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 933898
2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 60852301
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 2879195
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55674181
2-(2,4-dimethylquinolin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55643238
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55932406
2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79843343

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 55934058) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide is Cc1cc(C)nc(SCC(=O)Nc2ccccc2Cn2cccn2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is PRCJFEVELKGABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-13-10-14(2)21-18(20-13)25-12-17(24)22-16-7-4-3-6-15(16)11-23-9-5-8-19-23/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 55934058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).