4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine

C15H16Cl2N2O — CID 79421873

IUPAC4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine
SMILESCOCCCc1nc(Cl)c(-c2ccccc2C)c(Cl)n1
InChIInChI=1S/C15H16Cl2N2O/c1-10-6-3-4-7-11(10)13-14(16)18-12(19-15(13)17)8-5-9-20-2/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyKTPAXLWITLFLID-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.34
Rot. Bonds5

About 4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine

4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine (PubChem CID 79421873) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine
PubChem CID79421873
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine
SMILESCOCCCc1nc(Cl)c(-c2ccccc2C)c(Cl)n1
InChIInChI=1S/C15H16Cl2N2O/c1-10-6-3-4-7-11(10)13-14(16)18-12(19-15(13)17)8-5-9-20-2/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyKTPAXLWITLFLID-UHFFFAOYSA-N
XLogP4.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)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-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine (CID 79421873) is 4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine is COCCCc1nc(Cl)c(-c2ccccc2C)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine?
The InChIKey is KTPAXLWITLFLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-10-6-3-4-7-11(10)13-14(16)18-12(19-15(13)17)8-5-9-20-2/h3-4,6-7H,5,8-9H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine?
4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine has a molecular weight of 311.21 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine is sourced from PubChem (CID 79421873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).