4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine

C17H21F2N7O2 — CID 121334509

IUPAC4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine
SMILESNc1cc(C(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21F2N7O2/c18-14(19)11-9-13(20)21-10-12(11)15-22-16(25-1-5-27-6-2-25)24-17(23-15)26-3-7-28-8-4-26/h9-10,14H,1-8H2,(H2,20,21)
InChIKeyUFLPGOLPDASTON-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.13
Rot. Bonds4

About 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine

4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine (PubChem CID 121334509) has the molecular formula C17H21F2N7O2 and a molecular weight of 393.40 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine
PubChem CID121334509
Molecular FormulaC17H21F2N7O2
Molecular Weight393.40 g/mol
Exact Mass393.17
IUPAC Name4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine
SMILESNc1cc(C(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21F2N7O2/c18-14(19)11-9-13(20)21-10-12(11)15-22-16(25-1-5-27-6-2-25)24-17(23-15)26-3-7-28-8-4-26/h9-10,14H,1-8H2,(H2,20,21)
InChIKeyUFLPGOLPDASTON-UHFFFAOYSA-N
XLogP1.13
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine (CID 121334509) is 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine is Nc1cc(C(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine?
The InChIKey is UFLPGOLPDASTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N7O2/c18-14(19)11-9-13(20)21-10-12(11)15-22-16(25-1-5-27-6-2-25)24-17(23-15)26-3-7-28-8-4-26/h9-10,14H,1-8H2,(H2,20,21).
What are the key properties of 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine?
4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine has a molecular weight of 393.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine is sourced from PubChem (CID 121334509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).