3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one

C15H25N3O — CID 104747704

IUPAC3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCNC(Cn1c(C)nc(C)cc1=O)C1CCCCC1
InChIInChI=1S/C15H25N3O/c1-11-9-15(19)18(12(2)17-11)10-14(16-3)13-7-5-4-6-8-13/h9,13-14,16H,4-8,10H2,1-3H3
InChIKeyPSAVLGWZSXFGAN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.03
Rot. Bonds4

About 3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one

3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 104747704) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID104747704
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCNC(Cn1c(C)nc(C)cc1=O)C1CCCCC1
InChIInChI=1S/C15H25N3O/c1-11-9-15(19)18(12(2)17-11)10-14(16-3)13-7-5-4-6-8-13/h9,13-14,16H,4-8,10H2,1-3H3
InChIKeyPSAVLGWZSXFGAN-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one (CID 104747704) is 3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one is CNC(Cn1c(C)nc(C)cc1=O)C1CCCCC1.
What is the InChIKey of 3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is PSAVLGWZSXFGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-9-15(19)18(12(2)17-11)10-14(16-3)13-7-5-4-6-8-13/h9,13-14,16H,4-8,10H2,1-3H3.
What are the key properties of 3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 263.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 104747704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).