1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane

C15H23N3 — CID 163347871

IUPAC1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane
SMILESCCc1cc(N2CCCCCC2)nc(C2CC2)n1
InChIInChI=1S/C15H23N3/c1-2-13-11-14(17-15(16-13)12-7-8-12)18-9-5-3-4-6-10-18/h11-12H,2-10H2,1H3
InChIKeyIPZMRASCNWFTBY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.30
Rot. Bonds3

About 1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane

1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane (PubChem CID 163347871) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane
PubChem CID163347871
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane
SMILESCCc1cc(N2CCCCCC2)nc(C2CC2)n1
InChIInChI=1S/C15H23N3/c1-2-13-11-14(17-15(16-13)12-7-8-12)18-9-5-3-4-6-10-18/h11-12H,2-10H2,1H3
InChIKeyIPZMRASCNWFTBY-UHFFFAOYSA-N
XLogP3.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane?
The IUPAC name of 1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane (CID 163347871) is 1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane.
What is the SMILES notation for 1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane?
The canonical SMILES for 1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane is CCc1cc(N2CCCCCC2)nc(C2CC2)n1.
What is the InChIKey of 1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane?
The InChIKey is IPZMRASCNWFTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-13-11-14(17-15(16-13)12-7-8-12)18-9-5-3-4-6-10-18/h11-12H,2-10H2,1H3.
What are the key properties of 1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane?
1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane has a molecular weight of 245.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane is sourced from PubChem (CID 163347871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).