4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

C11H13ClF4N2O — CID 103473547

IUPAC4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESCCc1nc(COCC(F)(F)C(F)F)nc(Cl)c1C
InChIInChI=1S/C11H13ClF4N2O/c1-3-7-6(2)9(12)18-8(17-7)4-19-5-11(15,16)10(13)14/h10H,3-5H2,1-2H3
InChIKeyDRSFCGXDAAOLFU-UHFFFAOYSA-N
MW300.68 g/mol
LogP3.42
Rot. Bonds6

About 4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (PubChem CID 103473547) has the molecular formula C11H13ClF4N2O and a molecular weight of 300.68 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
PubChem CID103473547
Molecular FormulaC11H13ClF4N2O
Molecular Weight300.68 g/mol
Exact Mass300.07
IUPAC Name4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESCCc1nc(COCC(F)(F)C(F)F)nc(Cl)c1C
InChIInChI=1S/C11H13ClF4N2O/c1-3-7-6(2)9(12)18-8(17-7)4-19-5-11(15,16)10(13)14/h10H,3-5H2,1-2H3
InChIKeyDRSFCGXDAAOLFU-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.68
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine 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 4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (CID 103473547) is 4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is CCc1nc(COCC(F)(F)C(F)F)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The InChIKey is DRSFCGXDAAOLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF4N2O/c1-3-7-6(2)9(12)18-8(17-7)4-19-5-11(15,16)10(13)14/h10H,3-5H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine has a molecular weight of 300.68 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is sourced from PubChem (CID 103473547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).