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

C20H27F2N7O2 — CID 162485469

IUPAC4-(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
SMILESC[C@@H]1CN(c2nc(-c3cnc(N)cc3C(F)F)nc(N3CCO[C@@H](C)C3)n2)C[C@H](C)O1
InChIInChI=1S/C20H27F2N7O2/c1-11-8-28(4-5-30-11)19-25-18(15-7-24-16(23)6-14(15)17(21)22)26-20(27-19)29-9-12(2)31-13(3)10-29/h6-7,11-13,17H,4-5,8-10H2,1-3H3,(H2,23,24)/t11-,12-,13+/m0/s1
InChIKeyLCCIQURZNXSXKV-RWMBFGLXSA-N
MW435.48 g/mol
LogP2.29
Rot. Bonds4

About 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

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 (PubChem CID 162485469) has the molecular formula C20H27F2N7O2 and a molecular weight of 435.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID162485469
Molecular FormulaC20H27F2N7O2
Molecular Weight435.48 g/mol
Exact Mass435.22
IUPAC Name4-(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
SMILESC[C@@H]1CN(c2nc(-c3cnc(N)cc3C(F)F)nc(N3CCO[C@@H](C)C3)n2)C[C@H](C)O1
InChIInChI=1S/C20H27F2N7O2/c1-11-8-28(4-5-30-11)19-25-18(15-7-24-16(23)6-14(15)17(21)22)26-20(27-19)29-9-12(2)31-13(3)10-29/h6-7,11-13,17H,4-5,8-10H2,1-3H3,(H2,23,24)/t11-,12-,13+/m0/s1
InChIKeyLCCIQURZNXSXKV-RWMBFGLXSA-N
XLogP2.29
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 76807790
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-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-[(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-[(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-[(3R)-3-methylmorpholin-4-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334411
5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine
CID 172744621
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-(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
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyridin-2-amine
CID 58508310
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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(2S)-2-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CN(c2nc(-c3cnc(N)cc3C(F)F)nc(N3CCO[C@@H](C)C3)n2)C[C@H](C)O1.
What is the InChIKey of 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?
The InChIKey is LCCIQURZNXSXKV-RWMBFGLXSA-N. The full InChI is InChI=1S/C20H27F2N7O2/c1-11-8-28(4-5-30-11)19-25-18(15-7-24-16(23)6-14(15)17(21)22)26-20(27-19)29-9-12(2)31-13(3)10-29/h6-7,11-13,17H,4-5,8-10H2,1-3H3,(H2,23,24)/t11-,12-,13+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 435.48 g/mol, XLogP of 2.29, 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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(2S)-2-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 162485469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).