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

C23H32F2N8O2 — CID 121334411

IUPAC4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C23H32F2N8O2/c1-15-14-35-11-8-33(15)23-29-21(18-13-27-19(26)12-17(18)20(24)25)28-22(30-23)32-4-2-16(3-5-32)31-6-9-34-10-7-31/h12-13,15-16,20H,2-11,14H2,1H3,(H2,26,27)/t15-/m1/s1
InChIKeyZENPKBWCDBKVDR-OAHLLOKOSA-N
MW490.56 g/mol
LogP1.98
Rot. Bonds5

About 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

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 (PubChem CID 121334411) has the molecular formula C23H32F2N8O2 and a molecular weight of 490.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
PubChem CID121334411
Molecular FormulaC23H32F2N8O2
Molecular Weight490.56 g/mol
Exact Mass490.26
IUPAC Name4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C23H32F2N8O2/c1-15-14-35-11-8-33(15)23-29-21(18-13-27-19(26)12-17(18)20(24)25)28-22(30-23)32-4-2-16(3-5-32)31-6-9-34-10-7-31/h12-13,15-16,20H,2-11,14H2,1H3,(H2,26,27)/t15-/m1/s1
InChIKeyZENPKBWCDBKVDR-OAHLLOKOSA-N
XLogP1.98
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[4-(2-methoxyethyl)piperazin-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 137441015
4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334435
4-(difluoromethyl)-5-[4-[(3R)-3-(methoxymethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334490
4-(difluoromethyl)-5-[4-[(3R)-3-(2-methoxyethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 167052362
4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1H-1,2,4-triazol-5-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334389
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
4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121334508
5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine
CID 121334493
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-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334376

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 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?
The InChIKey is ZENPKBWCDBKVDR-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H32F2N8O2/c1-15-14-35-11-8-33(15)23-29-21(18-13-27-19(26)12-17(18)20(24)25)28-22(30-23)32-4-2-16(3-5-32)31-6-9-34-10-7-31/h12-13,15-16,20H,2-11,14H2,1H3,(H2,26,27)/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 490.56 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121334411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).