N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide

C13H20N4O2 — CID 53164761

IUPACN-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cnc(N2CCCCCC2)nc1
InChIInChI=1S/C13H20N4O2/c1-19-10-12(18)16-11-8-14-13(15-9-11)17-6-4-2-3-5-7-17/h8-9H,2-7,10H2,1H3,(H,16,18)
InChIKeyJCWUERXOCNKWRY-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.44
Rot. Bonds4

About N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide

N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide (PubChem CID 53164761) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide
PubChem CID53164761
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cnc(N2CCCCCC2)nc1
InChIInChI=1S/C13H20N4O2/c1-19-10-12(18)16-11-8-14-13(15-9-11)17-6-4-2-3-5-7-17/h8-9H,2-7,10H2,1H3,(H,16,18)
InChIKeyJCWUERXOCNKWRY-UHFFFAOYSA-N
XLogP1.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide (CID 53164761) is N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide is COCC(=O)Nc1cnc(N2CCCCCC2)nc1.
What is the InChIKey of N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide?
The InChIKey is JCWUERXOCNKWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-10-12(18)16-11-8-14-13(15-9-11)17-6-4-2-3-5-7-17/h8-9H,2-7,10H2,1H3,(H,16,18).
What are the key properties of N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide?
N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide has a molecular weight of 264.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-methoxyacetamide is sourced from PubChem (CID 53164761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).