6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine

C9H11F3N4O — CID 56861774

IUPAC6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCOC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)6-4-16(1-2-17-6)8-3-7(13)14-5-15-8/h3,5-6H,1-2,4H2,(H2,13,14,15)
InChIKeyOWQYJAVZHYHLMV-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.83
Rot. Bonds1

About 6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine

6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine (PubChem CID 56861774) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
PubChem CID56861774
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCOC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)6-4-16(1-2-17-6)8-3-7(13)14-5-15-8/h3,5-6H,1-2,4H2,(H2,13,14,15)
InChIKeyOWQYJAVZHYHLMV-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 6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine (CID 56861774) is 6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine is Nc1cc(N2CCOC(C(F)(F)F)C2)ncn1.
What is the InChIKey of 6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The InChIKey is OWQYJAVZHYHLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)6-4-16(1-2-17-6)8-3-7(13)14-5-15-8/h3,5-6H,1-2,4H2,(H2,13,14,15).
What are the key properties of 6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-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 6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 56861774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).