N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C13H19N3O2 — CID 135896891

IUPACN-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC2CCCC2)c(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-8-11(13(18)15-9(2)14-8)7-12(17)16-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyBRSOQTXFNXDKKJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.99
Rot. Bonds3

About N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 135896891) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID135896891
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC2CCCC2)c(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-8-11(13(18)15-9(2)14-8)7-12(17)16-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyBRSOQTXFNXDKKJ-UHFFFAOYSA-N
XLogP0.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 135896891) is N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(C)c(CC(=O)NC2CCCC2)c(=O)[nH]1.
What is the InChIKey of N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is BRSOQTXFNXDKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-11(13(18)15-9(2)14-8)7-12(17)16-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135896891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).