2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine

C11H11FN2 — CID 175959392

IUPAC2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine
SMILESFc1cnc(CC2C=CC=CC2)nc1
InChIInChI=1S/C11H11FN2/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-4,7-9H,5-6H2
InChIKeyQYFRNVOVWUMQMW-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.29
Rot. Bonds2

About 2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine

2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine (PubChem CID 175959392) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine
PubChem CID175959392
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine
SMILESFc1cnc(CC2C=CC=CC2)nc1
InChIInChI=1S/C11H11FN2/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-4,7-9H,5-6H2
InChIKeyQYFRNVOVWUMQMW-UHFFFAOYSA-N
XLogP2.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohexa-2,4-dien-1-ylmethyl)-5-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 2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine?
The IUPAC name of 2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine (CID 175959392) is 2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine.
What is the SMILES notation for 2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine?
The canonical SMILES for 2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine is Fc1cnc(CC2C=CC=CC2)nc1.
What is the InChIKey of 2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine?
The InChIKey is QYFRNVOVWUMQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-4,7-9H,5-6H2.
What are the key properties of 2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine?
2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine has a molecular weight of 190.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine is sourced from PubChem (CID 175959392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).