2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane

C41H50F8N10O3 — CID 144740174

IUPAC2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane
SMILESCC.CC1(C)CN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCOCC3)n2)CCO1.FC1(F)CN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCOCC3)n2)C1
InChIInChI=1S/C21H26F3N5O2.C18H18F5N5O.C2H6/c1-20(2)13-29(7-10-31-20)19-26-16(14-4-8-30-9-5-14)12-18(28-19)27-17-11-15(3-6-25-17)21(22,23)24;19-17(20)9-28(10-17)16-25-13(11-2-5-29-6-3-11)8-15(27-16)26-14-7-12(1-4-24-14)18(21,22)23;1-2/h3,6,11-12,14H,4-5,7-10,13H2,1-2H3,(H,25,26,27,28);1,4,7-8,11H,2-3,5-6,9-10H2,(H,24,25,26,27);1-2H3
InChIKeyNUICDUKJHLXSPY-UHFFFAOYSA-N
MW882.90 g/mol
LogP9.15
Rot. Bonds8

About 2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane

2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane (PubChem CID 144740174) has the molecular formula C41H50F8N10O3 and a molecular weight of 882.90 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane
PubChem CID144740174
Molecular FormulaC41H50F8N10O3
Molecular Weight882.90 g/mol
Exact Mass882.39
IUPAC Name2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane
SMILESCC.CC1(C)CN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCOCC3)n2)CCO1.FC1(F)CN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCOCC3)n2)C1
InChIInChI=1S/C21H26F3N5O2.C18H18F5N5O.C2H6/c1-20(2)13-29(7-10-31-20)19-26-16(14-4-8-30-9-5-14)12-18(28-19)27-17-11-15(3-6-25-17)21(22,23)24;19-17(20)9-28(10-17)16-25-13(11-2-5-29-6-3-11)8-15(27-16)26-14-7-12(1-4-24-14)18(21,22)23;1-2/h3,6,11-12,14H,4-5,7-10,13H2,1-2H3,(H,25,26,27,28);1,4,7-8,11H,2-3,5-6,9-10H2,(H,24,25,26,27);1-2H3
InChIKeyNUICDUKJHLXSPY-UHFFFAOYSA-N
XLogP9.15
TPSA135.57 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500882.90
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane with MolForge

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Related Compounds

2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 24783656
5-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507962
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 78324544
2-Amino-4-(trifluoromethyl)-5-[2-(2alpha,6alpha-dimethylmorpholine-4-yl)-4-morpholinopyrimidine-6-yl]pyridine
CID 78324546
1-[4-[2-Morpholin-4-yl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 117685483
2-(3,3-difluoropyrrolidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 117685509
4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121334420
4-(difluoromethyl)-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121334425
4-(Difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
CID 121334444
CID 121334518
CID 121334518
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 155544413
2-N-(2-methoxyethyl)-2-N-methyl-7-[3-(trifluoromethyl)pyridin-2-yl]-4-N-[5-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-2,4-diamine
CID 58972804

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane (CID 144740174) is 2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane is CC.CC1(C)CN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCOCC3)n2)CCO1.FC1(F)CN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCOCC3)n2)C1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane?
The InChIKey is NUICDUKJHLXSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O2.C18H18F5N5O.C2H6/c1-20(2)13-29(7-10-31-20)19-26-16(14-4-8-30-9-5-14)12-18(28-19)27-17-11-15(3-6-25-17)21(22,23)24;19-17(20)9-28(10-17)16-25-13(11-2-5-29-6-3-11)8-15(27-16)26-14-7-12(1-4-24-14)18(21,22)23;1-2/h3,6,11-12,14H,4-5,7-10,13H2,1-2H3,(H,25,26,27,28);1,4,7-8,11H,2-3,5-6,9-10H2,(H,24,25,26,27);1-2H3.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane?
2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane has a molecular weight of 882.90 g/mol, XLogP of 9.15, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-(2,2-dimethylmorpholin-4-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane is sourced from PubChem (CID 144740174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).