4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine

C14H12ClFN2O — CID 122574023

IUPAC4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine
SMILESC=C(C)c1nc(-c2ccc(F)cc2)nc(Cl)c1OC
InChIInChI=1S/C14H12ClFN2O/c1-8(2)11-12(19-3)13(15)18-14(17-11)9-4-6-10(16)7-5-9/h4-7H,1H2,2-3H3
InChIKeyADFBSXXYDGXVDE-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.98
Rot. Bonds3

About 4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine

4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine (PubChem CID 122574023) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine
PubChem CID122574023
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine
SMILESC=C(C)c1nc(-c2ccc(F)cc2)nc(Cl)c1OC
InChIInChI=1S/C14H12ClFN2O/c1-8(2)11-12(19-3)13(15)18-14(17-11)9-4-6-10(16)7-5-9/h4-7H,1H2,2-3H3
InChIKeyADFBSXXYDGXVDE-UHFFFAOYSA-N
XLogP3.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine (CID 122574023) is 4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine is C=C(C)c1nc(-c2ccc(F)cc2)nc(Cl)c1OC.
What is the InChIKey of 4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine?
The InChIKey is ADFBSXXYDGXVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8(2)11-12(19-3)13(15)18-14(17-11)9-4-6-10(16)7-5-9/h4-7H,1H2,2-3H3.
What are the key properties of 4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine?
4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine has a molecular weight of 278.71 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenyl)-5-methoxy-6-prop-1-en-2-ylpyrimidine is sourced from PubChem (CID 122574023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).