1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one

C15H25N3O — CID 62564667

IUPAC1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCNC2CCCCCC2)c(=O)n1
InChIInChI=1S/C15H25N3O/c1-12-11-13(2)18(15(19)17-12)10-9-16-14-7-5-3-4-6-8-14/h11,14,16H,3-10H2,1-2H3
InChIKeyHRWXUAHOAGGXBZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 62564667) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID62564667
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCNC2CCCCCC2)c(=O)n1
InChIInChI=1S/C15H25N3O/c1-12-11-13(2)18(15(19)17-12)10-9-16-14-7-5-3-4-6-8-14/h11,14,16H,3-10H2,1-2H3
InChIKeyHRWXUAHOAGGXBZ-UHFFFAOYSA-N
XLogP2.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one (CID 62564667) is 1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CCNC2CCCCCC2)c(=O)n1.
What is the InChIKey of 1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is HRWXUAHOAGGXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-11-13(2)18(15(19)17-12)10-9-16-14-7-5-3-4-6-8-14/h11,14,16H,3-10H2,1-2H3.
What are the key properties of 1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 62564667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).