N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C17H20F3N5O — CID 133386525

IUPACN-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C1CN(C)CCO1
InChIInChI=1S/C17H20F3N5O/c1-11(13-10-25(2)7-8-26-13)22-15-9-14(17(18,19)20)23-16(24-15)12-3-5-21-6-4-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,22,23,24)
InChIKeyKEESWJCFAFQDGA-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.69
Rot. Bonds4

About N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133386525) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133386525
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC NameN-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C1CN(C)CCO1
InChIInChI=1S/C17H20F3N5O/c1-11(13-10-25(2)7-8-26-13)22-15-9-14(17(18,19)20)23-16(24-15)12-3-5-21-6-4-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,22,23,24)
InChIKeyKEESWJCFAFQDGA-UHFFFAOYSA-N
XLogP2.69
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-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 N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133386525) is N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is CC(Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C1CN(C)CCO1.
What is the InChIKey of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KEESWJCFAFQDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-11(13-10-25(2)7-8-26-13)22-15-9-14(17(18,19)20)23-16(24-15)12-3-5-21-6-4-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,22,23,24).
What are the key properties of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 367.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133386525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).