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

C12H18N4O2S — CID 135403543

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C12H18N4O2S/c13-9-6-10(17)16-12(15-9)19-7-11(18)14-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,14,18)(H3,13,15,16,17)
InChIKeyQTIXMNHIILMVDV-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.89
Rot. Bonds4

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

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide (PubChem CID 135403543) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide
PubChem CID135403543
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C12H18N4O2S/c13-9-6-10(17)16-12(15-9)19-7-11(18)14-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,14,18)(H3,13,15,16,17)
InChIKeyQTIXMNHIILMVDV-UHFFFAOYSA-N
XLogP0.89
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.89
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-cyclohexylacetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide (CID 135403543) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide is Nc1cc(=O)[nH]c(SCC(=O)NC2CCCCC2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide?
The InChIKey is QTIXMNHIILMVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-9-6-10(17)16-12(15-9)19-7-11(18)14-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,14,18)(H3,13,15,16,17).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide has a molecular weight of 282.37 g/mol, XLogP of 0.89, 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-cyclohexylacetamide is sourced from PubChem (CID 135403543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).