2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide

C15H18N4O2S — CID 135414680

IUPAC2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H18N4O2S/c1-9(2)17-11(20)8-22-15-18-13(16)12(14(21)19-15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,20)(H3,16,18,19,21)
InChIKeyOIJNGOYADKCFLK-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.64
Rot. Bonds5

About 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide

2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 135414680) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID135414680
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H18N4O2S/c1-9(2)17-11(20)8-22-15-18-13(16)12(14(21)19-15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,20)(H3,16,18,19,21)
InChIKeyOIJNGOYADKCFLK-UHFFFAOYSA-N
XLogP1.64
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide (CID 135414680) is 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is OIJNGOYADKCFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9(2)17-11(20)8-22-15-18-13(16)12(14(21)19-15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,20)(H3,16,18,19,21).
What are the key properties of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 318.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 135414680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).