2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine

C13H12ClFN2O — CID 79078918

IUPAC2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine
SMILESCCCOc1ccc(-c2nc(Cl)ncc2F)cc1
InChIInChI=1S/C13H12ClFN2O/c1-2-7-18-10-5-3-9(4-6-10)12-11(15)8-16-13(14)17-12/h3-6,8H,2,7H2,1H3
InChIKeyZEILKXSQIBCJDI-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.72
Rot. Bonds4

About 2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine

2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine (PubChem CID 79078918) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine
PubChem CID79078918
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine
SMILESCCCOc1ccc(-c2nc(Cl)ncc2F)cc1
InChIInChI=1S/C13H12ClFN2O/c1-2-7-18-10-5-3-9(4-6-10)12-11(15)8-16-13(14)17-12/h3-6,8H,2,7H2,1H3
InChIKeyZEILKXSQIBCJDI-UHFFFAOYSA-N
XLogP3.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine
CID 79079530
4-(2-chloro-5-fluoropyrimidin-4-yl)-N,N-dimethylaniline
CID 79073427
2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine
CID 79632151
3-chloro-5-(4-propoxyphenyl)-1,2,4-triazine
CID 82480729
2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 79079653
2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine
CID 23190649
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
CID 79081907
4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
CID 63612833
2,6-difluoro-3-(4-propoxyphenyl)pyridine
CID 19765788
butyl 3-[3-(2-chloro-5-fluoropyrimidin-4-yl)phenyl]-2,2-dimethylpropanoate
CID 156801442
2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene
CID 129226020

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine (CID 79078918) is 2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine is CCCOc1ccc(-c2nc(Cl)ncc2F)cc1.
What is the InChIKey of 2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine?
The InChIKey is ZEILKXSQIBCJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-2-7-18-10-5-3-9(4-6-10)12-11(15)8-16-13(14)17-12/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine?
2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine is sourced from PubChem (CID 79078918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).