4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine

C13H11ClF2N2O — CID 80939932

IUPAC4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Oc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H11ClF2N2O/c1-2-3-12-17-11(14)7-13(18-12)19-10-5-8(15)4-9(16)6-10/h4-7H,2-3H2,1H3
InChIKeyUEXSZQQIGXLNAC-UHFFFAOYSA-N
MW284.69 g/mol
LogP4.15
Rot. Bonds4

About 4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine

4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine (PubChem CID 80939932) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine
PubChem CID80939932
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Oc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H11ClF2N2O/c1-2-3-12-17-11(14)7-13(18-12)19-10-5-8(15)4-9(16)6-10/h4-7H,2-3H2,1H3
InChIKeyUEXSZQQIGXLNAC-UHFFFAOYSA-N
XLogP4.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine
CID 81332258
[6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947113
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine
CID 80939586
4-chloro-6-(2-fluoro-5-methylphenoxy)-2-propylpyrimidine
CID 80940227
4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine
CID 116801019
4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine
CID 80940071
4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
CID 107657898
4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155
4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
CID 80938340
4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169176
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
CID 80938307
4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 81332421

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine (CID 80939932) is 4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine is CCCc1nc(Cl)cc(Oc2cc(F)cc(F)c2)n1.
What is the InChIKey of 4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine?
The InChIKey is UEXSZQQIGXLNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c1-2-3-12-17-11(14)7-13(18-12)19-10-5-8(15)4-9(16)6-10/h4-7H,2-3H2,1H3.
What are the key properties of 4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine?
4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine has a molecular weight of 284.69 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine is sourced from PubChem (CID 80939932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).