N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide

C13H19N3O2 — CID 115882469

IUPACN-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC1(C)CCC(NC(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C13H19N3O2/c1-13(2)5-4-10(8-13)15-11(17)9-16-7-3-6-14-12(16)18/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,15,17)
InChIKeyYLMAMVVMIFSALO-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.94
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 115882469) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID115882469
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC1(C)CCC(NC(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C13H19N3O2/c1-13(2)5-4-10(8-13)15-11(17)9-16-7-3-6-14-12(16)18/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,15,17)
InChIKeyYLMAMVVMIFSALO-UHFFFAOYSA-N
XLogP0.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 115882469) is N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide is CC1(C)CCC(NC(=O)Cn2cccnc2=O)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is YLMAMVVMIFSALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2)5-4-10(8-13)15-11(17)9-16-7-3-6-14-12(16)18/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 115882469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).