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

C20H27F2N7O3 — CID 121334490

IUPAC4-(difluoromethyl)-5-[4-[(3R)-3-(methoxymethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESCOC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C20H27F2N7O3/c1-12-9-31-5-3-28(12)19-25-18(15-8-24-16(23)7-14(15)17(21)22)26-20(27-19)29-4-6-32-11-13(29)10-30-2/h7-8,12-13,17H,3-6,9-11H2,1-2H3,(H2,23,24)/t12-,13-/m1/s1
InChIKeyBBASHFBUWFTKDA-CHWSQXEVSA-N
MW451.48 g/mol
LogP1.53
Rot. Bonds6

About 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

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 (PubChem CID 121334490) has the molecular formula C20H27F2N7O3 and a molecular weight of 451.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[4-[(3R)-3-(methoxymethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
PubChem CID121334490
Molecular FormulaC20H27F2N7O3
Molecular Weight451.48 g/mol
Exact Mass451.21
IUPAC Name4-(difluoromethyl)-5-[4-[(3R)-3-(methoxymethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESCOC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C20H27F2N7O3/c1-12-9-31-5-3-28(12)19-25-18(15-8-24-16(23)7-14(15)17(21)22)26-20(27-19)29-4-6-32-11-13(29)10-30-2/h7-8,12-13,17H,3-6,9-11H2,1-2H3,(H2,23,24)/t12-,13-/m1/s1
InChIKeyBBASHFBUWFTKDA-CHWSQXEVSA-N
XLogP1.53
TPSA111.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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-[(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-(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
5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
CID 155091854
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-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121334508
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOC[C@H]2C)n1.
What is the InChIKey of 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?
The InChIKey is BBASHFBUWFTKDA-CHWSQXEVSA-N. The full InChI is InChI=1S/C20H27F2N7O3/c1-12-9-31-5-3-28(12)19-25-18(15-8-24-16(23)7-14(15)17(21)22)26-20(27-19)29-4-6-32-11-13(29)10-30-2/h7-8,12-13,17H,3-6,9-11H2,1-2H3,(H2,23,24)/t12-,13-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 451.48 g/mol, XLogP of 1.53, 6 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-(methoxymethyl)morpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 121334490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).