5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine

C15H20F2N6 — CID 167879386

IUPAC5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(-c2cn(CC3CCC(F)(F)CC3)nn2)cn1
InChIInChI=1S/C15H20F2N6/c1-22(2)14-18-7-12(8-19-14)13-10-23(21-20-13)9-11-3-5-15(16,17)6-4-11/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyAEGSVGNSWXRVRG-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.63
Rot. Bonds4

About 5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine

5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 167879386) has the molecular formula C15H20F2N6 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID167879386
Molecular FormulaC15H20F2N6
Molecular Weight322.36 g/mol
Exact Mass322.17
IUPAC Name5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(-c2cn(CC3CCC(F)(F)CC3)nn2)cn1
InChIInChI=1S/C15H20F2N6/c1-22(2)14-18-7-12(8-19-14)13-10-23(21-20-13)9-11-3-5-15(16,17)6-4-11/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyAEGSVGNSWXRVRG-UHFFFAOYSA-N
XLogP2.63
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-(1-{[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl}-1H-1,2,3-triazol-4-yl)methanamine
CID 46989602
1-[1-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
CID 46980559
1-[3-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine
CID 46980564
1-[3-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride
CID 118741671
1-{1-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl}piperidine hydrochloride
CID 118741707
5-Propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
CID 130210279
6-[2-(3,3-Difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine
CID 146489764
6-(4,4-Difluoropiperidin-1-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 169091939
5-[2-(Difluoromethyl)-3-methylimidazol-4-yl]pyrimidine
CID 171075042
2-(1-methyl-1H-pyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
CID 163352603
5-[1-(4,4,4-Trifluoro-3,3-dimethylbutyl)triazol-4-yl]pyrimidine
CID 166267078
2-[4-(4,4-Difluorocyclohexyl)triazol-1-yl]pyrimidine
CID 166288502

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine (CID 167879386) is 5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(-c2cn(CC3CCC(F)(F)CC3)nn2)cn1.
What is the InChIKey of 5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is AEGSVGNSWXRVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N6/c1-22(2)14-18-7-12(8-19-14)13-10-23(21-20-13)9-11-3-5-15(16,17)6-4-11/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine?
5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 322.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4,4-difluorocyclohexyl)methyl]triazol-4-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 167879386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).