4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one

C14H21N3O — CID 79119537

IUPAC4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one
SMILESCCc1cc(N(C)C2CCC(=O)CC2)nc(C)n1
InChIInChI=1S/C14H21N3O/c1-4-11-9-14(16-10(2)15-11)17(3)12-5-7-13(18)8-6-12/h9,12H,4-8H2,1-3H3
InChIKeyGCSFOAYOEOUMAZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.30
Rot. Bonds3

About 4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one

4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one (PubChem CID 79119537) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one
PubChem CID79119537
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one
SMILESCCc1cc(N(C)C2CCC(=O)CC2)nc(C)n1
InChIInChI=1S/C14H21N3O/c1-4-11-9-14(16-10(2)15-11)17(3)12-5-7-13(18)8-6-12/h9,12H,4-8H2,1-3H3
InChIKeyGCSFOAYOEOUMAZ-UHFFFAOYSA-N
XLogP2.30
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one?
The IUPAC name of 4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one (CID 79119537) is 4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one.
What is the SMILES notation for 4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one?
The canonical SMILES for 4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one is CCc1cc(N(C)C2CCC(=O)CC2)nc(C)n1.
What is the InChIKey of 4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one?
The InChIKey is GCSFOAYOEOUMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-11-9-14(16-10(2)15-11)17(3)12-5-7-13(18)8-6-12/h9,12H,4-8H2,1-3H3.
What are the key properties of 4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one?
4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one is sourced from PubChem (CID 79119537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).