2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C24H29F3N8 — CID 123767414

IUPAC2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1ncc(CN2CCC(c3cc(Nc4cc(C(F)(F)F)ccn4)nc(N4CC(C)(C)C4)n3)C2)[nH]1
InChIInChI=1S/C24H29F3N8/c1-15-29-10-18(30-15)12-34-7-5-16(11-34)19-9-21(33-22(31-19)35-13-23(2,3)14-35)32-20-8-17(4-6-28-20)24(25,26)27/h4,6,8-10,16H,5,7,11-14H2,1-3H3,(H,29,30)(H,28,31,32,33)
InChIKeyKSAPWBNCOGEHGL-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.50
Rot. Bonds6

About 2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 123767414) has the molecular formula C24H29F3N8 and a molecular weight of 486.55 g/mol. Its IUPAC name is 2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID123767414
Molecular FormulaC24H29F3N8
Molecular Weight486.55 g/mol
Exact Mass486.25
IUPAC Name2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1ncc(CN2CCC(c3cc(Nc4cc(C(F)(F)F)ccn4)nc(N4CC(C)(C)C4)n3)C2)[nH]1
InChIInChI=1S/C24H29F3N8/c1-15-29-10-18(30-15)12-34-7-5-16(11-34)19-9-21(33-22(31-19)35-13-23(2,3)14-35)32-20-8-17(4-6-28-20)24(25,26)27/h4,6,8-10,16H,5,7,11-14H2,1-3H3,(H,29,30)(H,28,31,32,33)
InChIKeyKSAPWBNCOGEHGL-UHFFFAOYSA-N
XLogP4.50
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine with MolForge

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Related Compounds

2-(3,3-difluoroazetidin-1-yl)-6-[1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 148939649
1-[4-[2-(3-azabicyclo[3.2.1]octan-3-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 155001360
2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 134434319
2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 134170533
2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-4-yl-N-(4-propan-2-yl-2-pyridinyl)pyrimidin-4-amine;ethane;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740207
4-methyl-6-(2H-triazol-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 118271576
N-[4-[amino(difluoro)methyl]-2-pyridinyl]-2-(2-methylpyrazol-3-yl)-6-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 155001355
2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 141417445
5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole
CID 77080836
2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine
CID 86342169
6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 86342240
2,2-dimethyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 119098925

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 123767414) is 2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is Cc1ncc(CN2CCC(c3cc(Nc4cc(C(F)(F)F)ccn4)nc(N4CC(C)(C)C4)n3)C2)[nH]1.
What is the InChIKey of 2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is KSAPWBNCOGEHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N8/c1-15-29-10-18(30-15)12-34-7-5-16(11-34)19-9-21(33-22(31-19)35-13-23(2,3)14-35)32-20-8-17(4-6-28-20)24(25,26)27/h4,6,8-10,16H,5,7,11-14H2,1-3H3,(H,29,30)(H,28,31,32,33).
What are the key properties of 2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 486.55 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 123767414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).