4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine

C9H12Cl2N2 — CID 79421610

IUPAC4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1cc(Cl)nc(CCl)n1
InChIInChI=1S/C9H12Cl2N2/c1-6(2)3-7-4-8(11)13-9(5-10)12-7/h4,6H,3,5H2,1-2H3
InChIKeyPVJLSSSNPBEMLU-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.07
Rot. Bonds3

About 4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine

4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine (PubChem CID 79421610) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.11 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine
PubChem CID79421610
Molecular FormulaC9H12Cl2N2
Molecular Weight219.11 g/mol
Exact Mass218.04
IUPAC Name4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1cc(Cl)nc(CCl)n1
InChIInChI=1S/C9H12Cl2N2/c1-6(2)3-7-4-8(11)13-9(5-10)12-7/h4,6H,3,5H2,1-2H3
InChIKeyPVJLSSSNPBEMLU-UHFFFAOYSA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine (CID 79421610) is 4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine is CC(C)Cc1cc(Cl)nc(CCl)n1.
What is the InChIKey of 4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine?
The InChIKey is PVJLSSSNPBEMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-6(2)3-7-4-8(11)13-9(5-10)12-7/h4,6H,3,5H2,1-2H3.
What are the key properties of 4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine?
4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine has a molecular weight of 219.11 g/mol, XLogP of 3.07, 3 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-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 79421610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).