4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine

C20H25F2N7O2 — CID 121334515

IUPAC4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESNc1cc(C(F)F)c(-c2nc(N3CCOCC3)nc(N3C4CCCC3COC4)n2)cn1
InChIInChI=1S/C20H25F2N7O2/c21-17(22)14-8-16(23)24-9-15(14)18-25-19(28-4-6-30-7-5-28)27-20(26-18)29-12-2-1-3-13(29)11-31-10-12/h8-9,12-13,17H,1-7,10-11H2,(H2,23,24)
InChIKeyCBNJGBGAHFJOJE-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.05
Rot. Bonds4

About 4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine

4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine (PubChem CID 121334515) has the molecular formula C20H25F2N7O2 and a molecular weight of 433.46 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
PubChem CID121334515
Molecular FormulaC20H25F2N7O2
Molecular Weight433.46 g/mol
Exact Mass433.20
IUPAC Name4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESNc1cc(C(F)F)c(-c2nc(N3CCOCC3)nc(N3C4CCCC3COC4)n2)cn1
InChIInChI=1S/C20H25F2N7O2/c21-17(22)14-8-16(23)24-9-15(14)18-25-19(28-4-6-30-7-5-28)27-20(26-18)29-12-2-1-3-13(29)11-31-10-12/h8-9,12-13,17H,1-7,10-11H2,(H2,23,24)
InChIKeyCBNJGBGAHFJOJE-UHFFFAOYSA-N
XLogP2.05
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine with MolForge

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Related Compounds

4-(difluoromethyl)-5-[4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 175663159
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334387
4-(difluoromethyl)-5-[6-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyridin-2-amine
CID 121334418
4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334411
5-[4,6-bis(6,6-difluoro-3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
CID 121334383
4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 139520998
5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
CID 121334408
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334376
4-(difluoromethyl)-5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(2S)-2-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 162485469
4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine;bis(4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine);5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 163794523
4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 139520938
4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334435

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine (CID 121334515) is 4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine is Nc1cc(C(F)F)c(-c2nc(N3CCOCC3)nc(N3C4CCCC3COC4)n2)cn1.
What is the InChIKey of 4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine?
The InChIKey is CBNJGBGAHFJOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N7O2/c21-17(22)14-8-16(23)24-9-15(14)18-25-19(28-4-6-30-7-5-28)27-20(26-18)29-12-2-1-3-13(29)11-31-10-12/h8-9,12-13,17H,1-7,10-11H2,(H2,23,24).
What are the key properties of 4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine?
4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine has a molecular weight of 433.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-[4-morpholin-4-yl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1,3,5-triazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 121334515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).