4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine

C11H7Cl2FN2O — CID 80550230

IUPAC4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2nc(Cl)c(F)c(Cl)n2)c1
InChIInChI=1S/C11H7Cl2FN2O/c1-17-7-4-2-3-6(5-7)11-15-9(12)8(14)10(13)16-11/h2-5H,1H3
InChIKeyPNHVYZYTJJOFQF-UHFFFAOYSA-N
MW273.09 g/mol
LogP3.60
Rot. Bonds2

About 4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine

4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine (PubChem CID 80550230) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
PubChem CID80550230
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2nc(Cl)c(F)c(Cl)n2)c1
InChIInChI=1S/C11H7Cl2FN2O/c1-17-7-4-2-3-6(5-7)11-15-9(12)8(14)10(13)16-11/h2-5H,1H3
InChIKeyPNHVYZYTJJOFQF-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
CID 82169427
5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
CID 66293580
4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 59807407
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43519226
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine (CID 80550230) is 4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine is COc1cccc(-c2nc(Cl)c(F)c(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine?
The InChIKey is PNHVYZYTJJOFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c1-17-7-4-2-3-6(5-7)11-15-9(12)8(14)10(13)16-11/h2-5H,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine has a molecular weight of 273.09 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine is sourced from PubChem (CID 80550230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).