3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one

C15H25N3O — CID 55236462

IUPAC3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCNC2CCCCC2)c(C)n1
InChIInChI=1S/C15H25N3O/c1-12-11-15(19)18(13(2)17-12)10-6-9-16-14-7-4-3-5-8-14/h11,14,16H,3-10H2,1-2H3
InChIKeyABLRFWASLITDFR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.17
Rot. Bonds5

About 3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one

3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 55236462) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one
PubChem CID55236462
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCNC2CCCCC2)c(C)n1
InChIInChI=1S/C15H25N3O/c1-12-11-15(19)18(13(2)17-12)10-6-9-16-14-7-4-3-5-8-14/h11,14,16H,3-10H2,1-2H3
InChIKeyABLRFWASLITDFR-UHFFFAOYSA-N
XLogP2.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one (CID 55236462) is 3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CCCNC2CCCCC2)c(C)n1.
What is the InChIKey of 3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is ABLRFWASLITDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-11-15(19)18(13(2)17-12)10-6-9-16-14-7-4-3-5-8-14/h11,14,16H,3-10H2,1-2H3.
What are the key properties of 3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one?
3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 263.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 55236462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).