3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide

C19H19N3OS — CID 851328

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide
SMILESCc1cc(C)nc(SCCC(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C19H19N3OS/c1-13-12-14(2)21-19(20-13)24-11-10-18(23)22-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyGPEUUIIUMXTZHT-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.37
Rot. Bonds5

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide (PubChem CID 851328) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide
PubChem CID851328
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide
SMILESCc1cc(C)nc(SCCC(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C19H19N3OS/c1-13-12-14(2)21-19(20-13)24-11-10-18(23)22-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyGPEUUIIUMXTZHT-UHFFFAOYSA-N
XLogP4.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 23804458
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 863146
N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268023
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 4821778
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 25036662
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 34573149
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3684554
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 7940407
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 23861459
N-(3-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268022

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide (CID 851328) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide is Cc1cc(C)nc(SCCC(=O)Nc2cccc3ccccc23)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide?
The InChIKey is GPEUUIIUMXTZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-12-14(2)21-19(20-13)24-11-10-18(23)22-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,12H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide has a molecular weight of 337.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 851328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).