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

C16H25N3O — CID 59943473

IUPAC1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one
SMILESCC(=O)CC1CCC(Nc2nc(C)nc(C)c2C)CC1
InChIInChI=1S/C16H25N3O/c1-10(20)9-14-5-7-15(8-6-14)19-16-11(2)12(3)17-13(4)18-16/h14-15H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyWCDYENIAOKKKKX-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.35
Rot. Bonds4

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

1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one (PubChem CID 59943473) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one
PubChem CID59943473
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one
SMILESCC(=O)CC1CCC(Nc2nc(C)nc(C)c2C)CC1
InChIInChI=1S/C16H25N3O/c1-10(20)9-14-5-7-15(8-6-14)19-16-11(2)12(3)17-13(4)18-16/h14-15H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyWCDYENIAOKKKKX-UHFFFAOYSA-N
XLogP3.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-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
trans-N-methyl-4-{[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl}cyclohexanecarboxamide
CID 131924476
N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine
CID 59943477
N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium
CID 159644688
4-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 113234194
3-[(2-Amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylhexan-2-one
CID 23394120
1-[4-Methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one
CID 54351970
2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 59943470
4-[(2,5,6-Trimethylpyrimidin-4-yl)amino]cyclohexan-1-one
CID 59943476
5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 66996218
1-[4-[(6-Methylpyrimidin-4-yl)amino]cyclohexyl]ethanone
CID 118549418
2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide
CID 169428794

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one?
The IUPAC name of 1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one (CID 59943473) is 1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one.
What is the SMILES notation for 1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one?
The canonical SMILES for 1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one is CC(=O)CC1CCC(Nc2nc(C)nc(C)c2C)CC1.
What is the InChIKey of 1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one?
The InChIKey is WCDYENIAOKKKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10(20)9-14-5-7-15(8-6-14)19-16-11(2)12(3)17-13(4)18-16/h14-15H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one?
1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one has a molecular weight of 275.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one is sourced from PubChem (CID 59943473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).