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

C15H17N3OS — CID 976741

IUPAC(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
SMILESCc1cc(C)nc(S[C@@H](C)C(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H17N3OS/c1-10-9-11(2)17-15(16-10)20-12(3)14(19)18-13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyYJUPOUJZZZOVAZ-LBPRGKRZSA-N
MW287.39 g/mol
LogP3.21
Rot. Bonds4

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

(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide (PubChem CID 976741) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
PubChem CID976741
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
SMILESCc1cc(C)nc(S[C@@H](C)C(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H17N3OS/c1-10-9-11(2)17-15(16-10)20-12(3)14(19)18-13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyYJUPOUJZZZOVAZ-LBPRGKRZSA-N
XLogP3.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

(2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417263
(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 975208
(2S)-N-(4-bromophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 1132604
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 112777638
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 41024083
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide
CID 1408751
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417259
(2R)-N-(1,3-benzothiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417261
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 23743258
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid
CID 23886491

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide (CID 976741) is (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide is Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2ccccc2)n1.
What is the InChIKey of (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide?
The InChIKey is YJUPOUJZZZOVAZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-9-11(2)17-15(16-10)20-12(3)14(19)18-13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide?
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide has a molecular weight of 287.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 976741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).