4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine

C8H10Cl2N2 — CID 71685901

IUPAC4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(CCl)n1
InChIInChI=1S/C8H10Cl2N2/c1-5(2)6-3-7(10)12-8(4-9)11-6/h3,5H,4H2,1-2H3
InChIKeyZETOMBBQQWKLFZ-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.99
Rot. Bonds2

About 4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine

4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine (PubChem CID 71685901) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine
PubChem CID71685901
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(CCl)n1
InChIInChI=1S/C8H10Cl2N2/c1-5(2)6-3-7(10)12-8(4-9)11-6/h3,5H,4H2,1-2H3
InChIKeyZETOMBBQQWKLFZ-UHFFFAOYSA-N
XLogP2.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine 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-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine (CID 71685901) is 4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine is CC(C)c1cc(Cl)nc(CCl)n1.
What is the InChIKey of 4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine?
The InChIKey is ZETOMBBQQWKLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-5(2)6-3-7(10)12-8(4-9)11-6/h3,5H,4H2,1-2H3.
What are the key properties of 4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine?
4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine has a molecular weight of 205.09 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 71685901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).