4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine

C23H27F3N6O2 — CID 175891250

IUPAC4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1(C)C[C@H](COc2nc(N[C@@H]3CCC[C@H](c4nnc5ccccn45)C3)ncc2C(F)(F)F)O1
InChIInChI=1S/C23H27F3N6O2/c1-22(2)11-16(34-22)13-33-20-17(23(24,25)26)12-27-21(29-20)28-15-7-5-6-14(10-15)19-31-30-18-8-3-4-9-32(18)19/h3-4,8-9,12,14-16H,5-7,10-11,13H2,1-2H3,(H,27,28,29)/t14-,15+,16+/m0/s1
InChIKeyKJVTYRRUYJMBRW-ARFHVFGLSA-N
MW476.50 g/mol
LogP4.62
Rot. Bonds6

About 4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine

4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 175891250) has the molecular formula C23H27F3N6O2 and a molecular weight of 476.50 g/mol. Its IUPAC name is 4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID175891250
Molecular FormulaC23H27F3N6O2
Molecular Weight476.50 g/mol
Exact Mass476.21
IUPAC Name4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1(C)C[C@H](COc2nc(N[C@@H]3CCC[C@H](c4nnc5ccccn45)C3)ncc2C(F)(F)F)O1
InChIInChI=1S/C23H27F3N6O2/c1-22(2)11-16(34-22)13-33-20-17(23(24,25)26)12-27-21(29-20)28-15-7-5-6-14(10-15)19-31-30-18-8-3-4-9-32(18)19/h3-4,8-9,12,14-16H,5-7,10-11,13H2,1-2H3,(H,27,28,29)/t14-,15+,16+/m0/s1
InChIKeyKJVTYRRUYJMBRW-ARFHVFGLSA-N
XLogP4.62
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Related Compounds

4-[(3R)-oxan-3-yl]oxy-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168894142
4-cyclopropyl-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168894147
4-(4-methyl-1H-pyrazol-5-yl)-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168893996
tert-butyl 2-methyl-3-[2-[[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyazetidine-1-carboxylate
CID 168894209
N-[(1R,3S)-3-(6-nitro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
CID 168894214
2-[[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]amino]-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 168894168
N-[(1R,3S)-3-[6-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexyl]-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175890934
6-methoxy-3-[(1S,3R)-3-[[4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 175891315
N-[(1R,3S)-3-[7-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl]cyclohexyl]-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175890537
N-[(1R,3S)-3-[7-(difluoromethoxy)-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl]cyclohexyl]-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175890589
N-[(6S)-3-[(1S,3R)-3-[[4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
CID 168893810
(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 175891290

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 175891250) is 4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine is CC1(C)C[C@H](COc2nc(N[C@@H]3CCC[C@H](c4nnc5ccccn45)C3)ncc2C(F)(F)F)O1.
What is the InChIKey of 4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KJVTYRRUYJMBRW-ARFHVFGLSA-N. The full InChI is InChI=1S/C23H27F3N6O2/c1-22(2)11-16(34-22)13-33-20-17(23(24,25)26)12-27-21(29-20)28-15-7-5-6-14(10-15)19-31-30-18-8-3-4-9-32(18)19/h3-4,8-9,12,14-16H,5-7,10-11,13H2,1-2H3,(H,27,28,29)/t14-,15+,16+/m0/s1.
What are the key properties of 4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 476.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-4,4-dimethyloxetan-2-yl]methoxy]-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 175891250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).