4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine

C19H24F2N6O3 — CID 121334435

IUPAC4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESC[C@@H]1COCCN1c1nc(OC2CCOCC2)nc(-c2cnc(N)cc2C(F)F)n1
InChIInChI=1S/C19H24F2N6O3/c1-11-10-29-7-4-27(11)18-24-17(14-9-23-15(22)8-13(14)16(20)21)25-19(26-18)30-12-2-5-28-6-3-12/h8-9,11-12,16H,2-7,10H2,1H3,(H2,22,23)/t11-/m1/s1
InChIKeyXVDYWZHHZTYQLC-LLVKDONJSA-N
MW422.44 g/mol
LogP2.24
Rot. Bonds5

About 4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine

4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine (PubChem CID 121334435) has the molecular formula C19H24F2N6O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine
PubChem CID121334435
Molecular FormulaC19H24F2N6O3
Molecular Weight422.44 g/mol
Exact Mass422.19
IUPAC Name4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESC[C@@H]1COCCN1c1nc(OC2CCOCC2)nc(-c2cnc(N)cc2C(F)F)n1
InChIInChI=1S/C19H24F2N6O3/c1-11-10-29-7-4-27(11)18-24-17(14-9-23-15(22)8-13(14)16(20)21)25-19(26-18)30-12-2-5-28-6-3-12/h8-9,11-12,16H,2-7,10H2,1H3,(H2,22,23)/t11-/m1/s1
InChIKeyXVDYWZHHZTYQLC-LLVKDONJSA-N
XLogP2.24
TPSA108.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-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-(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-[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-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-[(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
(3R)-4-[4-chloro-6-(2,2-difluoroethoxy)-1,3,5-triazin-2-yl]-3-methylmorpholine;5-[4-(2,2-difluoroethoxy)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine;N'-[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N,N-dimethylmethanimidamide
CID 157435502

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine (CID 121334435) is 4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-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-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine is C[C@@H]1COCCN1c1nc(OC2CCOCC2)nc(-c2cnc(N)cc2C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine?
The InChIKey is XVDYWZHHZTYQLC-LLVKDONJSA-N. The full InChI is InChI=1S/C19H24F2N6O3/c1-11-10-29-7-4-27(11)18-24-17(14-9-23-15(22)8-13(14)16(20)21)25-19(26-18)30-12-2-5-28-6-3-12/h8-9,11-12,16H,2-7,10H2,1H3,(H2,22,23)/t11-/m1/s1.
What are the key properties of 4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine?
4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine has a molecular weight of 422.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 121334435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).