2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C16H17F3N4O — CID 117085441

IUPAC2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(CNc2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)13-3-1-2-12(10-13)11-21-14-4-5-20-15(22-14)23-6-8-24-9-7-23/h1-5,10H,6-9,11H2,(H,20,21,22)
InChIKeyWFFWCUGZTOQCBR-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.94
Rot. Bonds4

About 2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 117085441) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID117085441
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(CNc2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)13-3-1-2-12(10-13)11-21-14-4-5-20-15(22-14)23-6-8-24-9-7-23/h1-5,10H,6-9,11H2,(H,20,21,22)
InChIKeyWFFWCUGZTOQCBR-UHFFFAOYSA-N
XLogP2.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 117085441) is 2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is FC(F)(F)c1cccc(CNc2ccnc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is WFFWCUGZTOQCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)13-3-1-2-12(10-13)11-21-14-4-5-20-15(22-14)23-6-8-24-9-7-23/h1-5,10H,6-9,11H2,(H,20,21,22).
What are the key properties of 2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 338.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 117085441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).