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

C13H19N3O2 — CID 121121545

IUPACN-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCn1cnccc1=O)C1CCCCC1
InChIInChI=1S/C13H19N3O2/c17-12-6-7-14-10-16(12)9-8-15-13(18)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,15,18)
InChIKeyDUJCXHHEHLJENM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.94
Rot. Bonds4

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

N-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide (PubChem CID 121121545) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide
PubChem CID121121545
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCn1cnccc1=O)C1CCCCC1
InChIInChI=1S/C13H19N3O2/c17-12-6-7-14-10-16(12)9-8-15-13(18)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,15,18)
InChIKeyDUJCXHHEHLJENM-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide (CID 121121545) is N-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide is O=C(NCCn1cnccc1=O)C1CCCCC1.
What is the InChIKey of N-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is DUJCXHHEHLJENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-6-7-14-10-16(12)9-8-15-13(18)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,15,18).
What are the key properties of N-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide?
N-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 121121545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).