4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one

C13H19N3O — CID 59943476

IUPAC4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one
SMILESCc1nc(C)c(C)c(NC2CCC(=O)CC2)n1
InChIInChI=1S/C13H19N3O/c1-8-9(2)14-10(3)15-13(8)16-11-4-6-12(17)7-5-11/h11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyLAQZUFFFWLEYRA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.33
Rot. Bonds2

About 4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one

4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one (PubChem CID 59943476) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one
PubChem CID59943476
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one
SMILESCc1nc(C)c(C)c(NC2CCC(=O)CC2)n1
InChIInChI=1S/C13H19N3O/c1-8-9(2)14-10(3)15-13(8)16-11-4-6-12(17)7-5-11/h11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyLAQZUFFFWLEYRA-UHFFFAOYSA-N
XLogP2.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one with MolForge

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Related Compounds

cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide
CID 72859971
N-methyl-2-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 129625052
trans-N-methyl-4-{[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl}cyclohexanecarboxamide
CID 131924476
4-[(5-Fluoro-6-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one
CID 108151173
cis-4-(4-Dimethylamino-5,6-dimethyl-pyrimidin-2-ylamino)-1-aminocyclohexane
CID 23027628
2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 59943470
1-[4-[(2,5,6-Trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one
CID 59943473
2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
CID 82460626
2-N-cyclohexyl-4-N,4-N,5,6-tetramethylpyrimidine-2,4-diamine
CID 91431774
N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine
CID 134172427
N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
CID 141374950
4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine
CID 141374966

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one?
The IUPAC name of 4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one (CID 59943476) is 4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one is Cc1nc(C)c(C)c(NC2CCC(=O)CC2)n1.
What is the InChIKey of 4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one?
The InChIKey is LAQZUFFFWLEYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-9(2)14-10(3)15-13(8)16-11-4-6-12(17)7-5-11/h11H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one?
4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexan-1-one is sourced from PubChem (CID 59943476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).