4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine

C15H12Cl2N4O2 — CID 87134636

IUPAC4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine
SMILESCOc1ccccc1Oc1c(Cl)ncnc1Cl.c1cncnc1
InChIInChI=1S/C11H8Cl2N2O2.C4H4N2/c1-16-7-4-2-3-5-8(7)17-9-10(12)14-6-15-11(9)13;1-2-5-4-6-3-1/h2-6H,1H3;1-4H
InChIKeySHRLDXCWYYXKDQ-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.06
Rot. Bonds3

About 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine

4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine (PubChem CID 87134636) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine
PubChem CID87134636
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine
SMILESCOc1ccccc1Oc1c(Cl)ncnc1Cl.c1cncnc1
InChIInChI=1S/C11H8Cl2N2O2.C4H4N2/c1-16-7-4-2-3-5-8(7)17-9-10(12)14-6-15-11(9)13;1-2-5-4-6-3-1/h2-6H,1H3;1-4H
InChIKeySHRLDXCWYYXKDQ-UHFFFAOYSA-N
XLogP4.06
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine (CID 87134636) is 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine is COc1ccccc1Oc1c(Cl)ncnc1Cl.c1cncnc1.
What is the InChIKey of 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine?
The InChIKey is SHRLDXCWYYXKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2.C4H4N2/c1-16-7-4-2-3-5-8(7)17-9-10(12)14-6-15-11(9)13;1-2-5-4-6-3-1/h2-6H,1H3;1-4H.
What are the key properties of 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine?
4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine has a molecular weight of 351.19 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine is sourced from PubChem (CID 87134636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).