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

C12H18N4O — CID 71686880

IUPACN-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cnc(N2CCCCCC2)nc1
InChIInChI=1S/C12H18N4O/c1-10(17)15-11-8-13-12(14-9-11)16-6-4-2-3-5-7-16/h8-9H,2-7H2,1H3,(H,15,17)
InChIKeyDLWNIDYBIZFAOG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.82
Rot. Bonds2

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

N-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 71686880) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide
PubChem CID71686880
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cnc(N2CCCCCC2)nc1
InChIInChI=1S/C12H18N4O/c1-10(17)15-11-8-13-12(14-9-11)16-6-4-2-3-5-7-16/h8-9H,2-7H2,1H3,(H,15,17)
InChIKeyDLWNIDYBIZFAOG-UHFFFAOYSA-N
XLogP1.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide (CID 71686880) is N-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide is CC(=O)Nc1cnc(N2CCCCCC2)nc1.
What is the InChIKey of N-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is DLWNIDYBIZFAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(17)15-11-8-13-12(14-9-11)16-6-4-2-3-5-7-16/h8-9H,2-7H2,1H3,(H,15,17).
What are the key properties of N-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide?
N-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 71686880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).