5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine

C10H15FN2O — CID 177332351

IUPAC5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine
SMILESCCOC(c1cnc(F)nc1)C(C)C
InChIInChI=1S/C10H15FN2O/c1-4-14-9(7(2)3)8-5-12-10(11)13-6-8/h5-7,9H,4H2,1-3H3
InChIKeyJTQVZKSHRNXCMK-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.35
Rot. Bonds4

About 5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine

5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine (PubChem CID 177332351) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine.

Molecular Properties

Compound Name5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine
PubChem CID177332351
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine
SMILESCCOC(c1cnc(F)nc1)C(C)C
InChIInChI=1S/C10H15FN2O/c1-4-14-9(7(2)3)8-5-12-10(11)13-6-8/h5-7,9H,4H2,1-3H3
InChIKeyJTQVZKSHRNXCMK-UHFFFAOYSA-N
XLogP2.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine 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 5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine?
The IUPAC name of 5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine (CID 177332351) is 5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine.
What is the SMILES notation for 5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine?
The canonical SMILES for 5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine is CCOC(c1cnc(F)nc1)C(C)C.
What is the InChIKey of 5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine?
The InChIKey is JTQVZKSHRNXCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-4-14-9(7(2)3)8-5-12-10(11)13-6-8/h5-7,9H,4H2,1-3H3.
What are the key properties of 5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine?
5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine has a molecular weight of 198.24 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxy-2-methylpropyl)-2-fluoropyrimidine is sourced from PubChem (CID 177332351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).