5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine

C10H12F4N4O — CID 56866727

IUPAC5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
SMILESCNc1nc(N2CCOC(C(F)(F)F)C2)ncc1F
InChIInChI=1S/C10H12F4N4O/c1-15-8-6(11)4-16-9(17-8)18-2-3-19-7(5-18)10(12,13)14/h4,7H,2-3,5H2,1H3,(H,15,16,17)
InChIKeyYZRCIFRJNOTMNM-UHFFFAOYSA-N
MW280.23 g/mol
LogP1.42
Rot. Bonds2

About 5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine

5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine (PubChem CID 56866727) has the molecular formula C10H12F4N4O and a molecular weight of 280.23 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
PubChem CID56866727
Molecular FormulaC10H12F4N4O
Molecular Weight280.23 g/mol
Exact Mass280.09
IUPAC Name5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
SMILESCNc1nc(N2CCOC(C(F)(F)F)C2)ncc1F
InChIInChI=1S/C10H12F4N4O/c1-15-8-6(11)4-16-9(17-8)18-2-3-19-7(5-18)10(12,13)14/h4,7H,2-3,5H2,1H3,(H,15,16,17)
InChIKeyYZRCIFRJNOTMNM-UHFFFAOYSA-N
XLogP1.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine (CID 56866727) is 5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine is CNc1nc(N2CCOC(C(F)(F)F)C2)ncc1F.
What is the InChIKey of 5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The InChIKey is YZRCIFRJNOTMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N4O/c1-15-8-6(11)4-16-9(17-8)18-2-3-19-7(5-18)10(12,13)14/h4,7H,2-3,5H2,1H3,(H,15,16,17).
What are the key properties of 5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine has a molecular weight of 280.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 56866727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).