N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide

C13H19N3O2 — CID 121119740

IUPACN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide
SMILESCCc1cc(=O)n(CCNC(=O)C2CCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-2-11-8-12(17)16(9-15-11)7-6-14-13(18)10-4-3-5-10/h8-10H,2-7H2,1H3,(H,14,18)
InChIKeyDAUHHXHZONLYDS-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds5

About N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide (PubChem CID 121119740) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide
PubChem CID121119740
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide
SMILESCCc1cc(=O)n(CCNC(=O)C2CCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-2-11-8-12(17)16(9-15-11)7-6-14-13(18)10-4-3-5-10/h8-10H,2-7H2,1H3,(H,14,18)
InChIKeyDAUHHXHZONLYDS-UHFFFAOYSA-N
XLogP0.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide (CID 121119740) is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide is CCc1cc(=O)n(CCNC(=O)C2CCC2)cn1.
What is the InChIKey of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is DAUHHXHZONLYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-11-8-12(17)16(9-15-11)7-6-14-13(18)10-4-3-5-10/h8-10H,2-7H2,1H3,(H,14,18).
What are the key properties of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide?
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 121119740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).