4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine

C14H12ClFN2O2 — CID 71367615

IUPAC4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine
SMILESC=Cc1c(OC)ncnc1-c1cc(OC)c(Cl)cc1F
InChIInChI=1S/C14H12ClFN2O2/c1-4-8-13(17-7-18-14(8)20-3)9-5-12(19-2)10(15)6-11(9)16/h4-7H,1H2,2-3H3
InChIKeyJZHTUTNBJVJBNT-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.60
Rot. Bonds4

About 4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine

4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine (PubChem CID 71367615) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine
PubChem CID71367615
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine
SMILESC=Cc1c(OC)ncnc1-c1cc(OC)c(Cl)cc1F
InChIInChI=1S/C14H12ClFN2O2/c1-4-8-13(17-7-18-14(8)20-3)9-5-12(19-2)10(15)6-11(9)16/h4-7H,1H2,2-3H3
InChIKeyJZHTUTNBJVJBNT-UHFFFAOYSA-N
XLogP3.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-Dichloro-5-Methoxyphenyl)-6-Methylpyrimidin-2-Amine
CID 52940058
4-Chloro-6-(2,4-dichloro-5-methoxyphenyl)-2-pyrimidinamine
CID 46914445
5-(3-Chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine
CID 134142882
4-Chloro-6-(4-methoxyphenyl)pyrimidine
CID 11160353
N-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrimidin-2-amine
CID 46172972
4-Chloro-6-(2-methoxyphenyl)pyrimidine
CID 15206835
5-Chloro-4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6-ethylpyrimidine
CID 11625030
5-Chloro-2-(5-chloro-6-ethylpyrimidin-4-yl)-3-fluoro-6-methoxyaniline
CID 11716663
5-Chloro-4-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]-6-(difluoromethyl)pyrimidine
CID 17856510
5-Bromo-4-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-methylpyrimidine
CID 17856511
5-Chloro-4-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-6-(difluoromethyl)pyrimidine
CID 17856517
5-Chloro-4-(4-chloro-2-fluoro-5-methoxyphenyl)-6-trifluoromethylpyrimidine
CID 17856519

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine?
The IUPAC name of 4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine (CID 71367615) is 4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine.
What is the SMILES notation for 4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine?
The canonical SMILES for 4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine is C=Cc1c(OC)ncnc1-c1cc(OC)c(Cl)cc1F.
What is the InChIKey of 4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine?
The InChIKey is JZHTUTNBJVJBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-4-8-13(17-7-18-14(8)20-3)9-5-12(19-2)10(15)6-11(9)16/h4-7H,1H2,2-3H3.
What are the key properties of 4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine?
4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine has a molecular weight of 294.71 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine is sourced from PubChem (CID 71367615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).