4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine

C9H11F3N4O — CID 56861746

IUPAC4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCOC(C(F)(F)F)C2)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)6-5-16(3-4-17-6)7-1-2-14-8(13)15-7/h1-2,6H,3-5H2,(H2,13,14,15)
InChIKeyGSCKXQUPKVKUTO-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.83
Rot. Bonds1

About 4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine

4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine (PubChem CID 56861746) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
PubChem CID56861746
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCOC(C(F)(F)F)C2)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)6-5-16(3-4-17-6)7-1-2-14-8(13)15-7/h1-2,6H,3-5H2,(H2,13,14,15)
InChIKeyGSCKXQUPKVKUTO-UHFFFAOYSA-N
XLogP0.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine (CID 56861746) is 4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine is Nc1nccc(N2CCOC(C(F)(F)F)C2)n1.
What is the InChIKey of 4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
The InChIKey is GSCKXQUPKVKUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)6-5-16(3-4-17-6)7-1-2-14-8(13)15-7/h1-2,6H,3-5H2,(H2,13,14,15).
What are the key properties of 4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine has a molecular weight of 248.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 56861746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).