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

C13H12Cl2N2 — CID 79417714

IUPAC4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine
SMILESCCc1nc(Cl)c(-c2cccc(C)c2)c(Cl)n1
InChIInChI=1S/C13H12Cl2N2/c1-3-10-16-12(14)11(13(15)17-10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKeyPYYJTRPBVFVAAX-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.32
Rot. Bonds2

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

4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine (PubChem CID 79417714) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine
PubChem CID79417714
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine
SMILESCCc1nc(Cl)c(-c2cccc(C)c2)c(Cl)n1
InChIInChI=1S/C13H12Cl2N2/c1-3-10-16-12(14)11(13(15)17-10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKeyPYYJTRPBVFVAAX-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine (CID 79417714) is 4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine is CCc1nc(Cl)c(-c2cccc(C)c2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine?
The InChIKey is PYYJTRPBVFVAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-3-10-16-12(14)11(13(15)17-10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3.
What are the key properties of 4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine?
4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine has a molecular weight of 267.16 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 79417714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).