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

C20H27F2N7O2 — CID 121334501

IUPAC4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOCC2(C)C)n1
InChIInChI=1S/C20H27F2N7O2/c1-12-10-30-6-4-28(12)18-25-17(14-9-24-15(23)8-13(14)16(21)22)26-19(27-18)29-5-7-31-11-20(29,2)3/h8-9,12,16H,4-7,10-11H2,1-3H3,(H2,23,24)/t12-/m1/s1
InChIKeyBIKQHHNLLORGLD-GFCCVEGCSA-N
MW435.48 g/mol
LogP2.29
Rot. Bonds4

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

4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine (PubChem CID 121334501) has the molecular formula C20H27F2N7O2 and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
PubChem CID121334501
Molecular FormulaC20H27F2N7O2
Molecular Weight435.48 g/mol
Exact Mass435.22
IUPAC Name4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
SMILESC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOCC2(C)C)n1
InChIInChI=1S/C20H27F2N7O2/c1-12-10-30-6-4-28(12)18-25-17(14-9-24-15(23)8-13(14)16(21)22)26-19(27-18)29-5-7-31-11-20(29,2)3/h8-9,12,16H,4-7,10-11H2,1-3H3,(H2,23,24)/t12-/m1/s1
InChIKeyBIKQHHNLLORGLD-GFCCVEGCSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-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-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine (CID 121334501) is 4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-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-(3,3-dimethylmorpholin-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-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine is C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOCC2(C)C)n1.
What is the InChIKey of 4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine?
The InChIKey is BIKQHHNLLORGLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H27F2N7O2/c1-12-10-30-6-4-28(12)18-25-17(14-9-24-15(23)8-13(14)16(21)22)26-19(27-18)29-5-7-31-11-20(29,2)3/h8-9,12,16H,4-7,10-11H2,1-3H3,(H2,23,24)/t12-/m1/s1.
What are the key properties of 4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine?
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-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-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 121334501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).