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

C11H16N4O2S — CID 135435924

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)NC2CCCC2)n1
InChIInChI=1S/C11H16N4O2S/c12-8-5-9(16)15-11(14-8)18-6-10(17)13-7-3-1-2-4-7/h5,7H,1-4,6H2,(H,13,17)(H3,12,14,15,16)
InChIKeyZMCMYJWHMOVUBX-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.50
Rot. Bonds4

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

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide (PubChem CID 135435924) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
PubChem CID135435924
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)NC2CCCC2)n1
InChIInChI=1S/C11H16N4O2S/c12-8-5-9(16)15-11(14-8)18-6-10(17)13-7-3-1-2-4-7/h5,7H,1-4,6H2,(H,13,17)(H3,12,14,15,16)
InChIKeyZMCMYJWHMOVUBX-UHFFFAOYSA-N
XLogP0.50
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.50
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-cyclopentylacetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide (CID 135435924) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide is Nc1cc(=O)[nH]c(SCC(=O)NC2CCCC2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide?
The InChIKey is ZMCMYJWHMOVUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-8-5-9(16)15-11(14-8)18-6-10(17)13-7-3-1-2-4-7/h5,7H,1-4,6H2,(H,13,17)(H3,12,14,15,16).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide has a molecular weight of 268.34 g/mol, XLogP of 0.50, 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-cyclopentylacetamide is sourced from PubChem (CID 135435924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).