2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide

C19H18N4OS — CID 126389732

IUPAC2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide
SMILESCc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C19H18N4OS/c1-13-5-7-15(8-6-13)17-10-14(2)21-19(23-17)25-12-18(24)22-16-4-3-9-20-11-16/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyJUBJOGUNPQJFPV-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.89
Rot. Bonds5

About 2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide

2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide (PubChem CID 126389732) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide
PubChem CID126389732
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide
SMILESCc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C19H18N4OS/c1-13-5-7-15(8-6-13)17-10-14(2)21-19(23-17)25-12-18(24)22-16-4-3-9-20-11-16/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyJUBJOGUNPQJFPV-UHFFFAOYSA-N
XLogP3.89
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 126389565
N-(3-chlorophenyl)-2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylacetamide
CID 126390491
N-(3,4-dimethylphenyl)-2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylacetamide
CID 1242723
N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3482567
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 1180873
N-(4-iodophenyl)-2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanylacetamide
CID 21383152
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4168509
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730126
N-(2-ethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731070
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 37051251

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide (CID 126389732) is 2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide is Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccnc3)n2)cc1.
What is the InChIKey of 2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide?
The InChIKey is JUBJOGUNPQJFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-13-5-7-15(8-6-13)17-10-14(2)21-19(23-17)25-12-18(24)22-16-4-3-9-20-11-16/h3-11H,12H2,1-2H3,(H,22,24).
What are the key properties of 2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide?
2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide has a molecular weight of 350.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylacetamide is sourced from PubChem (CID 126389732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).