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

C8H12N4O2S — CID 135469027

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide
SMILESCCNC(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H12N4O2S/c1-2-10-7(14)4-15-8-11-5(9)3-6(13)12-8/h3H,2,4H2,1H3,(H,10,14)(H3,9,11,12,13)
InChIKeyKJVOEGMXELPQPC-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.42
Rot. Bonds4

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

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide (PubChem CID 135469027) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide
PubChem CID135469027
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide
SMILESCCNC(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H12N4O2S/c1-2-10-7(14)4-15-8-11-5(9)3-6(13)12-8/h3H,2,4H2,1H3,(H,10,14)(H3,9,11,12,13)
InChIKeyKJVOEGMXELPQPC-UHFFFAOYSA-N
XLogP-0.42
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.42
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-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide (CID 135469027) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide is CCNC(=O)CSc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide?
The InChIKey is KJVOEGMXELPQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-2-10-7(14)4-15-8-11-5(9)3-6(13)12-8/h3H,2,4H2,1H3,(H,10,14)(H3,9,11,12,13).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide has a molecular weight of 228.28 g/mol, XLogP of -0.42, 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-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide is sourced from PubChem (CID 135469027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).