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

C12H12N4O2S — CID 135438216

IUPAC2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H12N4O2S/c13-8(17)6-19-12-15-10(14)9(11(18)16-12)7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,17)(H3,14,15,16,18)
InChIKeyUCASKLWVMXHOOO-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.60
Rot. Bonds4

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

2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135438216) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135438216
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H12N4O2S/c13-8(17)6-19-12-15-10(14)9(11(18)16-12)7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,17)(H3,14,15,16,18)
InChIKeyUCASKLWVMXHOOO-UHFFFAOYSA-N
XLogP0.60
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.60
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]acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135438216) is 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is 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]acetamide?
The InChIKey is UCASKLWVMXHOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c13-8(17)6-19-12-15-10(14)9(11(18)16-12)7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,17)(H3,14,15,16,18).
What are the key properties of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 276.32 g/mol, XLogP of 0.60, 4 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]acetamide is sourced from PubChem (CID 135438216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).