3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine

C15H16F3N9O — CID 52938508

IUPAC3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C(F)(F)F)nc2c1nnn2CC1CN(Cc2ncccn2)CCO1
InChIInChI=1S/C15H16F3N9O/c16-15(17,18)14-22-12(19)11-13(23-14)27(25-24-11)7-9-6-26(4-5-28-9)8-10-20-2-1-3-21-10/h1-3,9H,4-8H2,(H2,19,22,23)
InChIKeySGIRUKALHFYGMV-UHFFFAOYSA-N
MW395.35 g/mol
LogP0.51
Rot. Bonds4

About 3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine

3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 52938508) has the molecular formula C15H16F3N9O and a molecular weight of 395.35 g/mol. Its IUPAC name is 3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID52938508
Molecular FormulaC15H16F3N9O
Molecular Weight395.35 g/mol
Exact Mass395.14
IUPAC Name3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C(F)(F)F)nc2c1nnn2CC1CN(Cc2ncccn2)CCO1
InChIInChI=1S/C15H16F3N9O/c16-15(17,18)14-22-12(19)11-13(23-14)27(25-24-11)7-9-6-26(4-5-28-9)8-10-20-2-1-3-21-10/h1-3,9H,4-8H2,(H2,19,22,23)
InChIKeySGIRUKALHFYGMV-UHFFFAOYSA-N
XLogP0.51
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-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 3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 52938508) is 3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine is Nc1nc(C(F)(F)F)nc2c1nnn2CC1CN(Cc2ncccn2)CCO1.
What is the InChIKey of 3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is SGIRUKALHFYGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N9O/c16-15(17,18)14-22-12(19)11-13(23-14)27(25-24-11)7-9-6-26(4-5-28-9)8-10-20-2-1-3-21-10/h1-3,9H,4-8H2,(H2,19,22,23).
What are the key properties of 3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 395.35 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 52938508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).