3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one

C14H23N3O — CID 62562549

IUPAC3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNC2CCCCCC2)cn1
InChIInChI=1S/C14H23N3O/c1-12-10-14(18)17(11-16-12)9-8-15-13-6-4-2-3-5-7-13/h10-11,13,15H,2-9H2,1H3
InChIKeyRZAQSKYCLQWQAJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.86
Rot. Bonds4

About 3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one

3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one (PubChem CID 62562549) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one
PubChem CID62562549
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNC2CCCCCC2)cn1
InChIInChI=1S/C14H23N3O/c1-12-10-14(18)17(11-16-12)9-8-15-13-6-4-2-3-5-7-13/h10-11,13,15H,2-9H2,1H3
InChIKeyRZAQSKYCLQWQAJ-UHFFFAOYSA-N
XLogP1.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one (CID 62562549) is 3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CCNC2CCCCCC2)cn1.
What is the InChIKey of 3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is RZAQSKYCLQWQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-10-14(18)17(11-16-12)9-8-15-13-6-4-2-3-5-7-13/h10-11,13,15H,2-9H2,1H3.
What are the key properties of 3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one?
3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 249.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cycloheptylamino)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 62562549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).