2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine

C13H12ClFN2 — CID 23179827

IUPAC2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
SMILESCCCc1cnc(-c2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C13H12ClFN2/c1-2-3-9-7-16-13(17-8-9)10-4-5-11(14)12(15)6-10/h4-8H,2-3H2,1H3
InChIKeyQODGRYSZLPSAQB-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.89
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine

2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine (PubChem CID 23179827) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
PubChem CID23179827
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
SMILESCCCc1cnc(-c2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C13H12ClFN2/c1-2-3-9-7-16-13(17-8-9)10-4-5-11(14)12(15)6-10/h4-8H,2-3H2,1H3
InChIKeyQODGRYSZLPSAQB-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine
CID 20708826
4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 63613658
2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine
CID 20708859
2-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]ethanamine
CID 63087706
2-(4-chloro-3-fluorophenyl)-5-[2-(4-ethenylcyclohexyl)ethyl]pyrimidine
CID 67610566
2-(3-fluoro-4-heptylphenyl)-5-octylpyrimidine
CID 21270948
2-(4-butyl-3-fluorophenyl)-5-hexylpyrimidine
CID 21270967
2-fluoro-4-(5-octylpyrimidin-2-yl)phenol
CID 135689415
2-(4-ethoxyphenyl)-5-propylpyrimidine
CID 18702636
2-[3-fluoro-4-(4-pentylphenyl)phenyl]-5-hexylpyrimidine
CID 21271029
5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine
CID 66311269
2-[3-fluoro-4-(4-heptylphenyl)phenyl]-5-pentylpyrimidine
CID 21270878

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine (CID 23179827) is 2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine is CCCc1cnc(-c2ccc(Cl)c(F)c2)nc1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine?
The InChIKey is QODGRYSZLPSAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-2-3-9-7-16-13(17-8-9)10-4-5-11(14)12(15)6-10/h4-8H,2-3H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine?
2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine has a molecular weight of 250.70 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine is sourced from PubChem (CID 23179827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).