4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine

C19H20F3N9O — CID 58508072

IUPAC4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
SMILESNc1ncc(-c2nc(NCCc3ccccn3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C19H20F3N9O/c20-19(21,22)14-13(11-26-16(23)27-14)15-28-17(25-6-4-12-3-1-2-5-24-12)30-18(29-15)31-7-9-32-10-8-31/h1-3,5,11H,4,6-10H2,(H2,23,26,27)(H,25,28,29,30)
InChIKeyGJFALZQKYBIYET-UHFFFAOYSA-N
MW447.43 g/mol
LogP1.82
Rot. Bonds6

About 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine

4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 58508072) has the molecular formula C19H20F3N9O and a molecular weight of 447.43 g/mol. Its IUPAC name is 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
PubChem CID58508072
Molecular FormulaC19H20F3N9O
Molecular Weight447.43 g/mol
Exact Mass447.17
IUPAC Name4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
SMILESNc1ncc(-c2nc(NCCc3ccccn3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C19H20F3N9O/c20-19(21,22)14-13(11-26-16(23)27-14)15-28-17(25-6-4-12-3-1-2-5-24-12)30-18(29-15)31-7-9-32-10-8-31/h1-3,5,11H,4,6-10H2,(H2,23,26,27)(H,25,28,29,30)
InChIKeyGJFALZQKYBIYET-UHFFFAOYSA-N
XLogP1.82
TPSA127.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-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

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine (CID 58508072) is 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine is Nc1ncc(-c2nc(NCCc3ccccn3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is GJFALZQKYBIYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N9O/c20-19(21,22)14-13(11-26-16(23)27-14)15-28-17(25-6-4-12-3-1-2-5-24-12)30-18(29-15)31-7-9-32-10-8-31/h1-3,5,11H,4,6-10H2,(H2,23,26,27)(H,25,28,29,30).
What are the key properties of 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine?
4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 447.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58508072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).