(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide

C19H18N4O2S — CID 135950983

IUPAC(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide
SMILESNc1cc(=O)[nH]c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H18N4O2S/c20-15-11-16(24)23-19(22-15)26-17(14-9-5-2-6-10-14)18(25)21-12-13-7-3-1-4-8-13/h1-11,17H,12H2,(H,21,25)(H3,20,22,23,24)/t17-/m1/s1
InChIKeyHIYZHWIKZDIRTG-QGZVFWFLSA-N
MW366.45 g/mol
LogP2.50
Rot. Bonds6

About (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide

(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide (PubChem CID 135950983) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide
PubChem CID135950983
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide
SMILESNc1cc(=O)[nH]c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H18N4O2S/c20-15-11-16(24)23-19(22-15)26-17(14-9-5-2-6-10-14)18(25)21-12-13-7-3-1-4-8-13/h1-11,17H,12H2,(H,21,25)(H3,20,22,23,24)/t17-/m1/s1
InChIKeyHIYZHWIKZDIRTG-QGZVFWFLSA-N
XLogP2.50
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 135646878
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 136822574
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 136712452
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 135703427
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 135706250
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
(2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide
CID 124506736
4-amino-2-benzylsulfanyl-1H-pyrimidin-6-one
CID 135412524
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 132903387
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,3-diphenylpropyl)acetamide
CID 135625140
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylbutanamide
CID 135715589
4-amino-2-(2-amino-2-phenylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135965777

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide (CID 135950983) is (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide is Nc1cc(=O)[nH]c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n1.
What is the InChIKey of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide?
The InChIKey is HIYZHWIKZDIRTG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N4O2S/c20-15-11-16(24)23-19(22-15)26-17(14-9-5-2-6-10-14)18(25)21-12-13-7-3-1-4-8-13/h1-11,17H,12H2,(H,21,25)(H3,20,22,23,24)/t17-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide?
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide has a molecular weight of 366.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide is sourced from PubChem (CID 135950983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).