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

C16H20F2N8O2 — CID 121334488

IUPAC4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)F)n1
InChIInChI=1S/C16H20F2N8O2/c17-12(18)11-10(9-20-14(19)21-11)13-22-15(25-1-5-27-6-2-25)24-16(23-13)26-3-7-28-8-4-26/h9,12H,1-8H2,(H2,19,20,21)
InChIKeyVZVYLEDIUUZTCW-UHFFFAOYSA-N
MW394.39 g/mol
LogP0.52
Rot. Bonds4

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

4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine (PubChem CID 121334488) has the molecular formula C16H20F2N8O2 and a molecular weight of 394.39 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine
PubChem CID121334488
Molecular FormulaC16H20F2N8O2
Molecular Weight394.39 g/mol
Exact Mass394.17
IUPAC Name4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)F)n1
InChIInChI=1S/C16H20F2N8O2/c17-12(18)11-10(9-20-14(19)21-11)13-22-15(25-1-5-27-6-2-25)24-16(23-13)26-3-7-28-8-4-26/h9,12H,1-8H2,(H2,19,20,21)
InChIKeyVZVYLEDIUUZTCW-UHFFFAOYSA-N
XLogP0.52
TPSA115.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine (CID 121334488) is 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine?
The InChIKey is VZVYLEDIUUZTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N8O2/c17-12(18)11-10(9-20-14(19)21-11)13-22-15(25-1-5-27-6-2-25)24-16(23-13)26-3-7-28-8-4-26/h9,12H,1-8H2,(H2,19,20,21).
What are the key properties of 4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine?
4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine has a molecular weight of 394.39 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 10 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)pyrimidin-2-amine is sourced from PubChem (CID 121334488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).