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

C13H11ClF2N2O — CID 80940071

IUPAC4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Oc2cccc(F)c2F)n1
InChIInChI=1S/C13H11ClF2N2O/c1-2-4-11-17-10(14)7-12(18-11)19-9-6-3-5-8(15)13(9)16/h3,5-7H,2,4H2,1H3
InChIKeyKQDCULHTEGQXPJ-UHFFFAOYSA-N
MW284.69 g/mol
LogP4.15
Rot. Bonds4

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

4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine (PubChem CID 80940071) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine
PubChem CID80940071
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Oc2cccc(F)c2F)n1
InChIInChI=1S/C13H11ClF2N2O/c1-2-4-11-17-10(14)7-12(18-11)19-9-6-3-5-8(15)13(9)16/h3,5-7H,2,4H2,1H3
InChIKeyKQDCULHTEGQXPJ-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-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
CID 107657898
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine
CID 80939586
4-chloro-6-(2-fluoro-5-methylphenoxy)-2-propylpyrimidine
CID 80940227
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
CID 80938307
4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
CID 80938340
4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine
CID 80939932
[6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 107662936
4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine
CID 80944144
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155
[2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol
CID 116689764

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine (CID 80940071) is 4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine is CCCc1nc(Cl)cc(Oc2cccc(F)c2F)n1.
What is the InChIKey of 4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine?
The InChIKey is KQDCULHTEGQXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c1-2-4-11-17-10(14)7-12(18-11)19-9-6-3-5-8(15)13(9)16/h3,5-7H,2,4H2,1H3.
What are the key properties of 4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine?
4-chloro-6-(2,3-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-(2,3-difluorophenoxy)-2-propylpyrimidine is sourced from PubChem (CID 80940071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).