4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine

C14H11Cl3N2O — CID 80973423

IUPAC4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3N2O/c1-7-12(17)18-13(8-2-3-8)19-14(7)20-11-5-4-9(15)6-10(11)16/h4-6,8H,2-3H2,1H3
InChIKeyKJPMBUATRNHAPJ-UHFFFAOYSA-N
MW329.61 g/mol
LogP5.41
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine

4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine (PubChem CID 80973423) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
PubChem CID80973423
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3N2O/c1-7-12(17)18-13(8-2-3-8)19-14(7)20-11-5-4-9(15)6-10(11)16/h4-6,8H,2-3H2,1H3
InChIKeyKJPMBUATRNHAPJ-UHFFFAOYSA-N
XLogP5.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.61
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80974321
4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80973921
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330
4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine
CID 80973259
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 80974217
2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107712328
[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81000980
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831
3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine
CID 55168913
4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
CID 80974375
4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine
CID 113324783
4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine
CID 80973778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine (CID 80973423) is 4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine?
The InChIKey is KJPMBUATRNHAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-7-12(17)18-13(8-2-3-8)19-14(7)20-11-5-4-9(15)6-10(11)16/h4-6,8H,2-3H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine has a molecular weight of 329.61 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine is sourced from PubChem (CID 80973423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).