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

C18H18F3N9O — CID 58507968

IUPAC4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1ncc(-c2nc(NCc3ccccn3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C18H18F3N9O/c19-18(20,21)13-12(10-24-15(22)26-13)14-27-16(25-9-11-3-1-2-4-23-11)29-17(28-14)30-5-7-31-8-6-30/h1-4,10H,5-9H2,(H2,22,24,26)(H,25,27,28,29)
InChIKeyZDQGMTFENGURHY-UHFFFAOYSA-N
MW433.40 g/mol
LogP1.77
Rot. Bonds5

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

4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 58507968) has the molecular formula C18H18F3N9O and a molecular weight of 433.40 g/mol. Its IUPAC name is 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID58507968
Molecular FormulaC18H18F3N9O
Molecular Weight433.40 g/mol
Exact Mass433.16
IUPAC Name4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1ncc(-c2nc(NCc3ccccn3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C18H18F3N9O/c19-18(20,21)13-12(10-24-15(22)26-13)14-27-16(25-9-11-3-1-2-4-23-11)29-17(28-14)30-5-7-31-8-6-30/h1-4,10H,5-9H2,(H2,22,24,26)(H,25,27,28,29)
InChIKeyZDQGMTFENGURHY-UHFFFAOYSA-N
XLogP1.77
TPSA127.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine (CID 58507968) is 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-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-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine is Nc1ncc(-c2nc(NCc3ccccn3)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-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is ZDQGMTFENGURHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N9O/c19-18(20,21)13-12(10-24-15(22)26-13)14-27-16(25-9-11-3-1-2-4-23-11)29-17(28-14)30-5-7-31-8-6-30/h1-4,10H,5-9H2,(H2,22,24,26)(H,25,27,28,29).
What are the key properties of 4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 433.40 g/mol, XLogP of 1.77, 5 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-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58507968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).