3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol

C19H24F4N6O — CID 123289353

IUPAC3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(C)(F)c1ncncc1CNc1ncc(C(F)(F)F)c(NC2CC(O)C2(C)C)n1
InChIInChI=1S/C19H24F4N6O/c1-17(2)12(5-13(17)30)28-15-11(19(21,22)23)8-26-16(29-15)25-7-10-6-24-9-27-14(10)18(3,4)20/h6,8-9,12-13,30H,5,7H2,1-4H3,(H2,25,26,28,29)
InChIKeyJJVOEANEIMRXES-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.67
Rot. Bonds6

About 3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol

3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 123289353) has the molecular formula C19H24F4N6O and a molecular weight of 428.43 g/mol. Its IUPAC name is 3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID123289353
Molecular FormulaC19H24F4N6O
Molecular Weight428.43 g/mol
Exact Mass428.19
IUPAC Name3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(C)(F)c1ncncc1CNc1ncc(C(F)(F)F)c(NC2CC(O)C2(C)C)n1
InChIInChI=1S/C19H24F4N6O/c1-17(2)12(5-13(17)30)28-15-11(19(21,22)23)8-26-16(29-15)25-7-10-6-24-9-27-14(10)18(3,4)20/h6,8-9,12-13,30H,5,7H2,1-4H3,(H2,25,26,28,29)
InChIKeyJJVOEANEIMRXES-UHFFFAOYSA-N
XLogP3.67
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol with MolForge

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Related Compounds

(1S)-3-[[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2,2-dimethylcyclobutan-1-ol
CID 162616288
4-[[(1R,3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidine-5-carbonitrile
CID 118179319
4-[[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[(4-propan-2-ylpyrimidin-5-yl)methylamino]pyrimidine-5-carbonitrile
CID 118162200
4-[[(1R)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[[4-(trifluoromethyl)pyridin-1-ium-3-yl]methylamino]pyrimidine-5-carbonitrile
CID 140755991
3-[[2-[[1-hydroxy-4-(trifluoromethyl)pyridin-1-ium-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2,4,4-tetramethylcyclobutan-1-ol
CID 118190864
4-[[(1R,3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[[4-(3,3,3-trifluoropropoxy)pyrimidin-1-ium-5-yl]methylamino]pyrimidine-5-carbonitrile
CID 163929077
2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol
CID 107587633
4-[[(1R,3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pyrimidine-5-carbonitrile
CID 118179546
4-[[(1R,3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[[(2R)-2-phenylpropyl]amino]pyrimidine-5-carbonitrile
CID 118179472
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632994
2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol
CID 112634249
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630356

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol (CID 123289353) is 3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol is CC(C)(F)c1ncncc1CNc1ncc(C(F)(F)F)c(NC2CC(O)C2(C)C)n1.
What is the InChIKey of 3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is JJVOEANEIMRXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F4N6O/c1-17(2)12(5-13(17)30)28-15-11(19(21,22)23)8-26-16(29-15)25-7-10-6-24-9-27-14(10)18(3,4)20/h6,8-9,12-13,30H,5,7H2,1-4H3,(H2,25,26,28,29).
What are the key properties of 3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 428.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 123289353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).