2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine

C13H11ClN2O — CID 76940175

IUPAC2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine
SMILESCC=Cc1ccccc1Oc1ccnc(Cl)n1
InChIInChI=1S/C13H11ClN2O/c1-2-5-10-6-3-4-7-11(10)17-12-8-9-15-13(14)16-12/h2-9H,1H3
InChIKeyZUNSBMASCUJACR-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.96
Rot. Bonds3

About 2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine

2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine (PubChem CID 76940175) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine
PubChem CID76940175
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine
SMILESCC=Cc1ccccc1Oc1ccnc(Cl)n1
InChIInChI=1S/C13H11ClN2O/c1-2-5-10-6-3-4-7-11(10)17-12-8-9-15-13(14)16-12/h2-9H,1H3
InChIKeyZUNSBMASCUJACR-UHFFFAOYSA-N
XLogP3.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(2-prop-1-enylphenoxy)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 2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine (CID 76940175) is 2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine is CC=Cc1ccccc1Oc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine?
The InChIKey is ZUNSBMASCUJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-2-5-10-6-3-4-7-11(10)17-12-8-9-15-13(14)16-12/h2-9H,1H3.
What are the key properties of 2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine?
2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine has a molecular weight of 246.70 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine is sourced from PubChem (CID 76940175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).