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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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).