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

C21H29F2N7O2 — CID 121334407

IUPAC5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
SMILESCC1(C)CN(c2nc(-c3cnc(N)cc3C(F)F)nc(N3CCOC(C)(C)C3)n2)CCO1
InChIInChI=1S/C21H29F2N7O2/c1-20(2)11-29(5-7-31-20)18-26-17(14-10-25-15(24)9-13(14)16(22)23)27-19(28-18)30-6-8-32-21(3,4)12-30/h9-10,16H,5-8,11-12H2,1-4H3,(H2,24,25)
InChIKeyOZDKUPJSGSFDGL-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.68
Rot. Bonds4

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

5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine (PubChem CID 121334407) has the molecular formula C21H29F2N7O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
PubChem CID121334407
Molecular FormulaC21H29F2N7O2
Molecular Weight449.51 g/mol
Exact Mass449.24
IUPAC Name5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
SMILESCC1(C)CN(c2nc(-c3cnc(N)cc3C(F)F)nc(N3CCOC(C)(C)C3)n2)CCO1
InChIInChI=1S/C21H29F2N7O2/c1-20(2)11-29(5-7-31-20)18-26-17(14-10-25-15(24)9-13(14)16(22)23)27-19(28-18)30-6-8-32-21(3,4)12-30/h9-10,16H,5-8,11-12H2,1-4H3,(H2,24,25)
InChIKeyOZDKUPJSGSFDGL-UHFFFAOYSA-N
XLogP2.68
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Buparlisib
CID 16654980
Bimiralisib
CID 58507717
Pqr620
CID 121334520
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 121334433
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
Pqr626
CID 121334440
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
Nicotinaldehyde (4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)hydrazone
CID 9585790
2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 24783656
5-(4,6-Dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 25009673
5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 46202650
N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl]acetamide
CID 46202976

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine (CID 121334407) is 5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine is CC1(C)CN(c2nc(-c3cnc(N)cc3C(F)F)nc(N3CCOC(C)(C)C3)n2)CCO1.
What is the InChIKey of 5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine?
The InChIKey is OZDKUPJSGSFDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F2N7O2/c1-20(2)11-29(5-7-31-20)18-26-17(14-10-25-15(24)9-13(14)16(22)23)27-19(28-18)30-6-8-32-21(3,4)12-30/h9-10,16H,5-8,11-12H2,1-4H3,(H2,24,25).
What are the key properties of 5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine?
5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine has a molecular weight of 449.51 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine is sourced from PubChem (CID 121334407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).