(2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide

C19H18N4O2S — CID 135599225

IUPAC(2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
SMILESC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H18N4O2S/c1-12(26-19-22-16(20)11-17(24)23-19)18(25)21-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,25)(H3,20,22,23,24)/t12-/m0/s1
InChIKeyJGSFGEPYGXFGNL-LBPRGKRZSA-N
MW366.45 g/mol
LogP3.14
Rot. Bonds5

About (2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide

(2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide (PubChem CID 135599225) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is (2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
PubChem CID135599225
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name(2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
SMILESC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H18N4O2S/c1-12(26-19-22-16(20)11-17(24)23-19)18(25)21-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,25)(H3,20,22,23,24)/t12-/m0/s1
InChIKeyJGSFGEPYGXFGNL-LBPRGKRZSA-N
XLogP3.14
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 135617426
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide
CID 135552316
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 135420393
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 135811683
ethyl 2-[2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate
CID 136685506
(2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 135552329
(2S)-N-(2-phenylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7908423
N-(2,5-dimethylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135667448
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135853442
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135459282
(2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)propanamide
CID 135552350
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)propanamide
CID 135552349

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide (CID 135599225) is (2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide is C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide?
The InChIKey is JGSFGEPYGXFGNL-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12(26-19-22-16(20)11-17(24)23-19)18(25)21-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,25)(H3,20,22,23,24)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide?
(2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide has a molecular weight of 366.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 135599225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).