3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide

C15H17N3OS — CID 851323

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
SMILESCc1cc(C)nc(SCCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H17N3OS/c1-11-10-12(2)17-15(16-11)20-9-8-14(19)18-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyLHXZJQNQFRVCTB-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.21
Rot. Bonds5

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide (PubChem CID 851323) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
PubChem CID851323
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
SMILESCc1cc(C)nc(SCCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H17N3OS/c1-11-10-12(2)17-15(16-11)20-9-8-14(19)18-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyLHXZJQNQFRVCTB-UHFFFAOYSA-N
XLogP3.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2889774
N-(4-{3-[(4-methylpyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}phenyl)acetamide
CID 2901805
Urea, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenyl-
CID 204268
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide
CID 134433738
N-[4-(4,6-Dimethyl-pyrimidin-2-ylamino)-phenyl]-acetamide
CID 734481
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 851324
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 5161833
(2-Anilino-2-oxoethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 16300904
6-methyl-2-(methylthio)-N-phenyl-5-prop-2-enyl-4-pyrimidinamine
CID 623158
2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]-N-phenylacetamide
CID 665238
2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 1611923
N-(2,2-Dimethyl-propionyl)-N'-(4,6-dimethyl-pyrimidin-2-yl)-N''-(4-fluoro-phenyl)-guanidine
CID 135437343

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide (CID 851323) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide is Cc1cc(C)nc(SCCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide?
The InChIKey is LHXZJQNQFRVCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-10-12(2)17-15(16-11)20-9-8-14(19)18-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide has a molecular weight of 287.39 g/mol, XLogP of 3.21, 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-phenylpropanamide is sourced from PubChem (CID 851323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).