(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide

C14H15N3OS — CID 1408751

IUPAC(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)Nc2ccccc2)ncn1
InChIInChI=1S/C14H15N3OS/c1-10-8-13(16-9-15-10)19-11(2)14(18)17-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyGVRBHZFDXULAQT-LLVKDONJSA-N
MW273.36 g/mol
LogP2.90
Rot. Bonds4

About (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide

(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide (PubChem CID 1408751) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide
PubChem CID1408751
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)Nc2ccccc2)ncn1
InChIInChI=1S/C14H15N3OS/c1-10-8-13(16-9-15-10)19-11(2)14(18)17-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyGVRBHZFDXULAQT-LLVKDONJSA-N
XLogP2.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 42345492
methyl 3-[[(2R)-2-(6-methylpyrimidin-4-yl)sulfanylpropanoyl]amino]benzoate
CID 42345515
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 1408761
2-(1-anilino-1-oxopropan-2-yl)sulfanylpyridine-4-carboxylic acid
CID 61298751
(2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 42353215
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27241479
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
CID 46300894
ethyl 4-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate
CID 46304876
N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide
CID 42947736
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304878

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide (CID 1408751) is (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide is Cc1cc(S[C@H](C)C(=O)Nc2ccccc2)ncn1.
What is the InChIKey of (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide?
The InChIKey is GVRBHZFDXULAQT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-8-13(16-9-15-10)19-11(2)14(18)17-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide?
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide has a molecular weight of 273.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 1408751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).