(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide

C15H17N5O2S — CID 41024083

IUPAC(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
SMILESCc1cc(N)nc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H17N5O2S/c1-9-8-12(16)19-15(17-9)23-10(2)13(21)20-14(22)18-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H2,16,17,19)(H2,18,20,21,22)/t10-/m1/s1
InChIKeyGPDMXCFJBFZTJV-SNVBAGLBSA-N
MW331.40 g/mol
LogP2.20
Rot. Bonds4

About (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide

(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide (PubChem CID 41024083) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
PubChem CID41024083
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
SMILESCc1cc(N)nc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H17N5O2S/c1-9-8-12(16)19-15(17-9)23-10(2)13(21)20-14(22)18-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H2,16,17,19)(H2,18,20,21,22)/t10-/m1/s1
InChIKeyGPDMXCFJBFZTJV-SNVBAGLBSA-N
XLogP2.20
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
CID 51190687
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 46669341
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 25332600
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 112777638
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 51480183
2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 60594345
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145388
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 43028754
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
CID 37060825
4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid
CID 23886491
(2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417263

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide (CID 41024083) is (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide is Cc1cc(N)nc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)n1.
What is the InChIKey of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide?
The InChIKey is GPDMXCFJBFZTJV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-9-8-12(16)19-15(17-9)23-10(2)13(21)20-14(22)18-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H2,16,17,19)(H2,18,20,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide?
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide has a molecular weight of 331.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide is sourced from PubChem (CID 41024083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).