6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C11H10ClF3N4O — CID 106375408

IUPAC6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1cnc(CNc2cc(Cl)nc(C(F)(F)F)n2)o1
InChIInChI=1S/C11H10ClF3N4O/c1-2-6-4-17-9(20-6)5-16-8-3-7(12)18-10(19-8)11(13,14)15/h3-4H,2,5H2,1H3,(H,16,18,19)
InChIKeyRWCTWRVPKAMYBL-UHFFFAOYSA-N
MW306.68 g/mol
LogP3.31
Rot. Bonds4

About 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106375408) has the molecular formula C11H10ClF3N4O and a molecular weight of 306.68 g/mol. Its IUPAC name is 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106375408
Molecular FormulaC11H10ClF3N4O
Molecular Weight306.68 g/mol
Exact Mass306.05
IUPAC Name6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1cnc(CNc2cc(Cl)nc(C(F)(F)F)n2)o1
InChIInChI=1S/C11H10ClF3N4O/c1-2-6-4-17-9(20-6)5-16-8-3-7(12)18-10(19-8)11(13,14)15/h3-4H,2,5H2,1H3,(H,16,18,19)
InChIKeyRWCTWRVPKAMYBL-UHFFFAOYSA-N
XLogP3.31
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106375408) is 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is CCc1cnc(CNc2cc(Cl)nc(C(F)(F)F)n2)o1.
What is the InChIKey of 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RWCTWRVPKAMYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O/c1-2-6-4-17-9(20-6)5-16-8-3-7(12)18-10(19-8)11(13,14)15/h3-4H,2,5H2,1H3,(H,16,18,19).
What are the key properties of 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 306.68 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106375408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).