4,6-dichloro-2-ethyl-5-methylpyrimidine

C7H8Cl2N2 — CID 59943664

IUPAC4,6-dichloro-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C7H8Cl2N2/c1-3-5-10-6(8)4(2)7(9)11-5/h3H2,1-2H3
InChIKeyLNUGIQDTXNTOMO-UHFFFAOYSA-N
MW191.06 g/mol
LogP2.65
Rot. Bonds1

About 4,6-dichloro-2-ethyl-5-methylpyrimidine

4,6-dichloro-2-ethyl-5-methylpyrimidine (PubChem CID 59943664) has the molecular formula C7H8Cl2N2 and a molecular weight of 191.06 g/mol. Its IUPAC name is 4,6-dichloro-2-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-ethyl-5-methylpyrimidine
PubChem CID59943664
Molecular FormulaC7H8Cl2N2
Molecular Weight191.06 g/mol
Exact Mass190.01
IUPAC Name4,6-dichloro-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C7H8Cl2N2/c1-3-5-10-6(8)4(2)7(9)11-5/h3H2,1-2H3
InChIKeyLNUGIQDTXNTOMO-UHFFFAOYSA-N
XLogP2.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dichloro-2-ethyl-5-methylpyrimidine 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-ethyl-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-ethyl-5-methylpyrimidine (CID 59943664) is 4,6-dichloro-2-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-ethyl-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-ethyl-5-methylpyrimidine is CCc1nc(Cl)c(C)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-ethyl-5-methylpyrimidine?
The InChIKey is LNUGIQDTXNTOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2/c1-3-5-10-6(8)4(2)7(9)11-5/h3H2,1-2H3.
What are the key properties of 4,6-dichloro-2-ethyl-5-methylpyrimidine?
4,6-dichloro-2-ethyl-5-methylpyrimidine has a molecular weight of 191.06 g/mol, XLogP of 2.65, 1 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-methylpyrimidine is sourced from PubChem (CID 59943664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).