2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine

C16H18Cl2N2O — CID 59184665

IUPAC2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
SMILESCc1cc(C)c(C)c(Oc2nc(Cl)nc(Cl)c2C(C)C)c1
InChIInChI=1S/C16H18Cl2N2O/c1-8(2)13-14(17)19-16(18)20-15(13)21-12-7-9(3)6-10(4)11(12)5/h6-8H,1-5H3
InChIKeySHSDSBRPRAOMHA-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.62
Rot. Bonds3

About 2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine

2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine (PubChem CID 59184665) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
PubChem CID59184665
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
SMILESCc1cc(C)c(C)c(Oc2nc(Cl)nc(Cl)c2C(C)C)c1
InChIInChI=1S/C16H18Cl2N2O/c1-8(2)13-14(17)19-16(18)20-15(13)21-12-7-9(3)6-10(4)11(12)5/h6-8H,1-5H3
InChIKeySHSDSBRPRAOMHA-UHFFFAOYSA-N
XLogP5.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 13413744
4-Chloro-6-[2-methyl-5-(propan-2-YL)phenoxy]pyrimidin-2-amine
CID 3572121
4-[(2,6-Dichloropyrimidin-4-yl)oxy]-3,5-dimethylbenzonitrile
CID 49757563
4,5,6-Trichloro-2-(2-fluoro-3-methyl-6-propan-2-ylphenoxy)pyrimidine
CID 87513328
4-Chloro-5-fluoro-6-(4-fluoro-2,6-dimethylphenoxy)-2-methylpyrimidine
CID 178629153
Pyrimidin-2-amine, 4-chloro-6-(2,4-dimethylphenoxy)-
CID 555310
4-Chloro-5-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 63734350
4-Chloro-5-propan-2-yl-6-[2-(trifluoromethyl)phenoxy]pyrimidine
CID 63736589
4-Chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine
CID 64854239
4-Chloro-6-(2-fluoro-5-methylphenoxy)-5-propan-2-ylpyrimidine
CID 64856364
2-Chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine
CID 79080786
2-Chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine
CID 79081049

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine?
The IUPAC name of 2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine (CID 59184665) is 2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine is Cc1cc(C)c(C)c(Oc2nc(Cl)nc(Cl)c2C(C)C)c1.
What is the InChIKey of 2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine?
The InChIKey is SHSDSBRPRAOMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-8(2)13-14(17)19-16(18)20-15(13)21-12-7-9(3)6-10(4)11(12)5/h6-8H,1-5H3.
What are the key properties of 2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine?
2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine has a molecular weight of 325.24 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine is sourced from PubChem (CID 59184665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).