6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C13H19F3N4O — CID 39767354

IUPAC6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCc1cc(NCCC(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C13H19F3N4O/c1-2-10-9-11(17-4-3-13(14,15)16)19-12(18-10)20-5-7-21-8-6-20/h9H,2-8H2,1H3,(H,17,18,19)
InChIKeyMBTGTQHMZBTVED-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.24
Rot. Bonds5

About 6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 39767354) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID39767354
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCc1cc(NCCC(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C13H19F3N4O/c1-2-10-9-11(17-4-3-13(14,15)16)19-12(18-10)20-5-7-21-8-6-20/h9H,2-8H2,1H3,(H,17,18,19)
InChIKeyMBTGTQHMZBTVED-UHFFFAOYSA-N
XLogP2.24
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 39767354) is 6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CCc1cc(NCCC(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is MBTGTQHMZBTVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-10-9-11(17-4-3-13(14,15)16)19-12(18-10)20-5-7-21-8-6-20/h9H,2-8H2,1H3,(H,17,18,19).
What are the key properties of 6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 304.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-morpholin-4-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 39767354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).