6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one

C12H17F2N3O — CID 177233933

IUPAC6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
SMILESCc1nc(NC2CCC(F)(F)CC2)cc(=O)n1C
InChIInChI=1S/C12H17F2N3O/c1-8-15-10(7-11(18)17(8)2)16-9-3-5-12(13,14)6-4-9/h7,9,16H,3-6H2,1-2H3
InChIKeyCHSPJORJABYXSF-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.08
Rot. Bonds2

About 6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one

6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one (PubChem CID 177233933) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
PubChem CID177233933
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
SMILESCc1nc(NC2CCC(F)(F)CC2)cc(=O)n1C
InChIInChI=1S/C12H17F2N3O/c1-8-15-10(7-11(18)17(8)2)16-9-3-5-12(13,14)6-4-9/h7,9,16H,3-6H2,1-2H3
InChIKeyCHSPJORJABYXSF-UHFFFAOYSA-N
XLogP2.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one with MolForge

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Related Compounds

5-Amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177234014
5-Bromo-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177234056
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
2-methyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957049
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
2-ethyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136999768
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
3-[3-(Cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one
CID 55236462
2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778297
4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136792794
2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805299

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one?
The IUPAC name of 6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one (CID 177233933) is 6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one is Cc1nc(NC2CCC(F)(F)CC2)cc(=O)n1C.
What is the InChIKey of 6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one?
The InChIKey is CHSPJORJABYXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-8-15-10(7-11(18)17(8)2)16-9-3-5-12(13,14)6-4-9/h7,9,16H,3-6H2,1-2H3.
What are the key properties of 6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one?
6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one has a molecular weight of 257.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one is sourced from PubChem (CID 177233933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).