N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide

C13H19N3O2 — CID 121121015

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide
SMILESCc1cncn(CCNC(=O)C2CCCC2)c1=O
InChIInChI=1S/C13H19N3O2/c1-10-8-14-9-16(13(10)18)7-6-15-12(17)11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H,15,17)
InChIKeyBTRFALZVIATBPW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.86
Rot. Bonds4

About N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide (PubChem CID 121121015) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide
PubChem CID121121015
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide
SMILESCc1cncn(CCNC(=O)C2CCCC2)c1=O
InChIInChI=1S/C13H19N3O2/c1-10-8-14-9-16(13(10)18)7-6-15-12(17)11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H,15,17)
InChIKeyBTRFALZVIATBPW-UHFFFAOYSA-N
XLogP0.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide (CID 121121015) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide is Cc1cncn(CCNC(=O)C2CCCC2)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is BTRFALZVIATBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-8-14-9-16(13(10)18)7-6-15-12(17)11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H,15,17).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 121121015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).