4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine

C14H14Cl2N2O — CID 80938340

IUPAC4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Oc2cc(Cl)ccc2C)n1
InChIInChI=1S/C14H14Cl2N2O/c1-3-4-13-17-12(16)8-14(18-13)19-11-7-10(15)6-5-9(11)2/h5-8H,3-4H2,1-2H3
InChIKeyKHSYWJISOOEMHB-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.84
Rot. Bonds4

About 4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine

4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine (PubChem CID 80938340) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
PubChem CID80938340
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Oc2cc(Cl)ccc2C)n1
InChIInChI=1S/C14H14Cl2N2O/c1-3-4-13-17-12(16)8-14(18-13)19-11-7-10(15)6-5-9(11)2/h5-8H,3-4H2,1-2H3
InChIKeyKHSYWJISOOEMHB-UHFFFAOYSA-N
XLogP4.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2-fluoro-5-methylphenoxy)-2-propylpyrimidine
CID 80940227
4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
CID 107657898
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine
CID 80940071
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine
CID 80939586
[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938715
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
CID 80938307
6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949696
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine
CID 80939932
3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662566

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine (CID 80938340) is 4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine is CCCc1nc(Cl)cc(Oc2cc(Cl)ccc2C)n1.
What is the InChIKey of 4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine?
The InChIKey is KHSYWJISOOEMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-3-4-13-17-12(16)8-14(18-13)19-11-7-10(15)6-5-9(11)2/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine?
4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine has a molecular weight of 297.19 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine is sourced from PubChem (CID 80938340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).