3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine

C19H25F2N7O2 — CID 175844627

IUPAC3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESCC1(C)COCCN1c1nc(-c2cnc(N)c(C(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25F2N7O2/c1-19(2)11-30-8-5-28(19)18-25-16(12-9-13(14(20)21)15(22)23-10-12)24-17(26-18)27-3-6-29-7-4-27/h9-10,14H,3-8,11H2,1-2H3,(H2,22,23)
InChIKeyTZGWPXKJTKLCER-UHFFFAOYSA-N
MW421.45 g/mol
LogP1.91
Rot. Bonds4

About 3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine

3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine (PubChem CID 175844627) has the molecular formula C19H25F2N7O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine
PubChem CID175844627
Molecular FormulaC19H25F2N7O2
Molecular Weight421.45 g/mol
Exact Mass421.20
IUPAC Name3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESCC1(C)COCCN1c1nc(-c2cnc(N)c(C(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25F2N7O2/c1-19(2)11-30-8-5-28(19)18-25-16(12-9-13(14(20)21)15(22)23-10-12)24-17(26-18)27-3-6-29-7-4-27/h9-10,14H,3-8,11H2,1-2H3,(H2,22,23)
InChIKeyTZGWPXKJTKLCER-UHFFFAOYSA-N
XLogP1.91
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-(3,3-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
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyridin-2-amine
CID 58508310
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-(5-methyl-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 115375453
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-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-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46202652
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-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-hydroxypentanamide
CID 171478100
4-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-2-amine
CID 80796377
5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 70253902

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine?
The IUPAC name of 3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine (CID 175844627) is 3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine is CC1(C)COCCN1c1nc(-c2cnc(N)c(C(F)F)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine?
The InChIKey is TZGWPXKJTKLCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N7O2/c1-19(2)11-30-8-5-28(19)18-25-16(12-9-13(14(20)21)15(22)23-10-12)24-17(26-18)27-3-6-29-7-4-27/h9-10,14H,3-8,11H2,1-2H3,(H2,22,23).
What are the key properties of 3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine?
3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine has a molecular weight of 421.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 175844627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).