(2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide

C14H15N3O2S — CID 42345492

IUPAC(2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)Nc2ccc(O)cc2)ncn1
InChIInChI=1S/C14H15N3O2S/c1-9-7-13(16-8-15-9)20-10(2)14(19)17-11-3-5-12(18)6-4-11/h3-8,10,18H,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyLZKKQYIHVAXYBL-SNVBAGLBSA-N
MW289.36 g/mol
LogP2.61
Rot. Bonds4

About (2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide

(2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 42345492) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is (2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID42345492
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name(2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)Nc2ccc(O)cc2)ncn1
InChIInChI=1S/C14H15N3O2S/c1-9-7-13(16-8-15-9)20-10(2)14(19)17-11-3-5-12(18)6-4-11/h3-8,10,18H,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyLZKKQYIHVAXYBL-SNVBAGLBSA-N
XLogP2.61
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide
CID 1408751
methyl 3-[[(2R)-2-(6-methylpyrimidin-4-yl)sulfanylpropanoyl]amino]benzoate
CID 42345515
(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
(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 1408761
N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304700
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide
CID 42353231
N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304710
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
CID 46300894
ethyl 4-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate
CID 46304876
(2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 95048255
(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 975208

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide (CID 42345492) is (2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide is Cc1cc(S[C@H](C)C(=O)Nc2ccc(O)cc2)ncn1.
What is the InChIKey of (2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is LZKKQYIHVAXYBL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-7-13(16-8-15-9)20-10(2)14(19)17-11-3-5-12(18)6-4-11/h3-8,10,18H,1-2H3,(H,17,19)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
(2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 289.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 42345492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).