4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H14F3N5O — CID 67270816

IUPAC4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(CC1COC(N)=N1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N5O/c1-2-19(5-7-6-20-10(15)17-7)8-3-4-16-9(18-8)11(12,13)14/h3-4,7H,2,5-6H2,1H3,(H2,15,17)
InChIKeyTXFHMJXJMJKGAY-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.04
Rot. Bonds4

About 4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67270816) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67270816
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(CC1COC(N)=N1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N5O/c1-2-19(5-7-6-20-10(15)17-7)8-3-4-16-9(18-8)11(12,13)14/h3-4,7H,2,5-6H2,1H3,(H2,15,17)
InChIKeyTXFHMJXJMJKGAY-UHFFFAOYSA-N
XLogP1.04
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67270816) is 4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCN(CC1COC(N)=N1)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of 4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is TXFHMJXJMJKGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c1-2-19(5-7-6-20-10(15)17-7)8-3-4-16-9(18-8)11(12,13)14/h3-4,7H,2,5-6H2,1H3,(H2,15,17).
What are the key properties of 4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 289.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67270816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).