2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one

C15H25N3O — CID 731914

IUPAC2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one
SMILESCCCc1cc(=O)n(CC)c(NC2CCCCC2)n1
InChIInChI=1S/C15H25N3O/c1-3-8-13-11-14(19)18(4-2)15(17-13)16-12-9-6-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyPYQKEMKLOMEXHV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.96
Rot. Bonds5

About 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one

2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one (PubChem CID 731914) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one
PubChem CID731914
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one
SMILESCCCc1cc(=O)n(CC)c(NC2CCCCC2)n1
InChIInChI=1S/C15H25N3O/c1-3-8-13-11-14(19)18(4-2)15(17-13)16-12-9-6-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyPYQKEMKLOMEXHV-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one?
The IUPAC name of 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one (CID 731914) is 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one.
What is the SMILES notation for 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one?
The canonical SMILES for 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one is CCCc1cc(=O)n(CC)c(NC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one?
The InChIKey is PYQKEMKLOMEXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-8-13-11-14(19)18(4-2)15(17-13)16-12-9-6-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one?
2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one has a molecular weight of 263.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one is sourced from PubChem (CID 731914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).