6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine

C14H15Cl2N3O2 — CID 13075470

IUPAC6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine
SMILESCOc1ccc(OCCNc2ncnc(Cl)c2C)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O2/c1-9-13(16)18-8-19-14(9)17-5-6-21-12-4-3-10(20-2)7-11(12)15/h3-4,7-8H,5-6H2,1-2H3,(H,17,18,19)
InChIKeyGILVBZFJSYKCRW-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.59
Rot. Bonds6

About 6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine

6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine (PubChem CID 13075470) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine
PubChem CID13075470
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine
SMILESCOc1ccc(OCCNc2ncnc(Cl)c2C)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O2/c1-9-13(16)18-8-19-14(9)17-5-6-21-12-4-3-10(20-2)7-11(12)15/h3-4,7-8H,5-6H2,1-2H3,(H,17,18,19)
InChIKeyGILVBZFJSYKCRW-UHFFFAOYSA-N
XLogP3.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine 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 6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine (CID 13075470) is 6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine is COc1ccc(OCCNc2ncnc(Cl)c2C)c(Cl)c1.
What is the InChIKey of 6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine?
The InChIKey is GILVBZFJSYKCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-9-13(16)18-8-19-14(9)17-5-6-21-12-4-3-10(20-2)7-11(12)15/h3-4,7-8H,5-6H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine?
6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine has a molecular weight of 328.20 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 13075470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).