4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine

C15H16Cl2N2O — CID 63736064

IUPAC4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ncnc(Cl)c1C
InChIInChI=1S/C15H16Cl2N2O/c1-8(2)11-6-13(9(3)5-12(11)16)20-15-10(4)14(17)18-7-19-15/h5-8H,1-4H3
InChIKeyLWNUHJLWQJEKBR-UHFFFAOYSA-N
MW311.21 g/mol
LogP5.32
Rot. Bonds3

About 4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine

4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine (PubChem CID 63736064) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine
PubChem CID63736064
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ncnc(Cl)c1C
InChIInChI=1S/C15H16Cl2N2O/c1-8(2)11-6-13(9(3)5-12(11)16)20-15-10(4)14(17)18-7-19-15/h5-8H,1-4H3
InChIKeyLWNUHJLWQJEKBR-UHFFFAOYSA-N
XLogP5.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.21
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80874410
4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 63736409
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine
CID 80875257
2,4-dichloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1,3,5-triazine
CID 60726056
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80874108
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridin-4-amine
CID 63457442
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
CID 63961923
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875963
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 43240834
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 43352001
4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine
CID 55230242
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine (CID 63736064) is 4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine is Cc1cc(Cl)c(C(C)C)cc1Oc1ncnc(Cl)c1C.
What is the InChIKey of 4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine?
The InChIKey is LWNUHJLWQJEKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-8(2)11-6-13(9(3)5-12(11)16)20-15-10(4)14(17)18-7-19-15/h5-8H,1-4H3.
What are the key properties of 4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine?
4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine has a molecular weight of 311.21 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine is sourced from PubChem (CID 63736064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).