4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H12F3N5O — CID 106378424

IUPAC4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCc1cnc(CNc2cc(N)nc(C(F)(F)F)n2)o1
InChIInChI=1S/C11H12F3N5O/c1-2-6-4-17-9(20-6)5-16-8-3-7(15)18-10(19-8)11(12,13)14/h3-4H,2,5H2,1H3,(H3,15,16,18,19)
InChIKeyGTSRHRLFKRQLLT-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.24
Rot. Bonds4

About 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106378424) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106378424
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCc1cnc(CNc2cc(N)nc(C(F)(F)F)n2)o1
InChIInChI=1S/C11H12F3N5O/c1-2-6-4-17-9(20-6)5-16-8-3-7(15)18-10(19-8)11(12,13)14/h3-4H,2,5H2,1H3,(H3,15,16,18,19)
InChIKeyGTSRHRLFKRQLLT-UHFFFAOYSA-N
XLogP2.24
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106378424) is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCc1cnc(CNc2cc(N)nc(C(F)(F)F)n2)o1.
What is the InChIKey of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is GTSRHRLFKRQLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-2-6-4-17-9(20-6)5-16-8-3-7(15)18-10(19-8)11(12,13)14/h3-4H,2,5H2,1H3,(H3,15,16,18,19).
What are the key properties of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 287.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106378424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).