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

C21H30F2N8O2 — CID 137441015

IUPAC4-(difluoromethyl)-5-[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESCOCCN1CCN(c2nc(-c3cnc(N)cc3C(F)F)nc(N3CCOC[C@H]3C)n2)CC1
InChIInChI=1S/C21H30F2N8O2/c1-14-13-33-10-8-31(14)21-27-19(16-12-25-17(24)11-15(16)18(22)23)26-20(28-21)30-5-3-29(4-6-30)7-9-32-2/h11-12,14,18H,3-10,13H2,1-2H3,(H2,24,25)/t14-/m1/s1
InChIKeyHJUUXLRBHAWDOV-CQSZACIVSA-N
MW464.52 g/mol
LogP1.45
Rot. Bonds7

About 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

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 (PubChem CID 137441015) has the molecular formula C21H30F2N8O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
PubChem CID137441015
Molecular FormulaC21H30F2N8O2
Molecular Weight464.52 g/mol
Exact Mass464.25
IUPAC Name4-(difluoromethyl)-5-[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESCOCCN1CCN(c2nc(-c3cnc(N)cc3C(F)F)nc(N3CCOC[C@H]3C)n2)CC1
InChIInChI=1S/C21H30F2N8O2/c1-14-13-33-10-8-31(14)21-27-19(16-12-25-17(24)11-15(16)18(22)23)26-20(28-21)30-5-3-29(4-6-30)7-9-32-2/h11-12,14,18H,3-10,13H2,1-2H3,(H2,24,25)/t14-/m1/s1
InChIKeyHJUUXLRBHAWDOV-CQSZACIVSA-N
XLogP1.45
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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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-[(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-(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-methylmorpholin-4-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334411
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-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-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121334508
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
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCN1CCN(c2nc(-c3cnc(N)cc3C(F)F)nc(N3CCOC[C@H]3C)n2)CC1.
What is the InChIKey of 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?
The InChIKey is HJUUXLRBHAWDOV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H30F2N8O2/c1-14-13-33-10-8-31(14)21-27-19(16-12-25-17(24)11-15(16)18(22)23)26-20(28-21)30-5-3-29(4-6-30)7-9-32-2/h11-12,14,18H,3-10,13H2,1-2H3,(H2,24,25)/t14-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 464.52 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137441015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).