4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine

C11H8Cl2N2 — CID 62747062

IUPAC4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine
SMILESClCc1ccnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H8Cl2N2/c12-7-10-4-5-14-11(15-10)8-2-1-3-9(13)6-8/h1-6H,7H2
InChIKeyBZUNFEDBBARFQS-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.54
Rot. Bonds2

About 4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine

4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine (PubChem CID 62747062) has the molecular formula C11H8Cl2N2 and a molecular weight of 239.11 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine
PubChem CID62747062
Molecular FormulaC11H8Cl2N2
Molecular Weight239.11 g/mol
Exact Mass238.01
IUPAC Name4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine
SMILESClCc1ccnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H8Cl2N2/c12-7-10-4-5-14-11(15-10)8-2-1-3-9(13)6-8/h1-6H,7H2
InChIKeyBZUNFEDBBARFQS-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine
CID 141428073
[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol
CID 107918136
4-(chloromethyl)-2-(3,5-dimethoxyphenyl)pyrimidine
CID 103399713
[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine
CID 81491774
2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624
4-(chloromethyl)-2-(2-methylphenyl)pyrimidine
CID 62747241
4-(chloromethyl)-2-(3-chlorophenyl)-1H-pyrimidin-6-one
CID 135978468
2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine
CID 10684254
2-[4-(chloromethyl)pyrimidin-2-yl]quinoline
CID 63222282
2-(3-chlorophenyl)phenanthro[9,10-d]pyrimidine
CID 121433910
5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole
CID 46318469
2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
CID 67322383

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine?
The IUPAC name of 4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine (CID 62747062) is 4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine.
What is the SMILES notation for 4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine?
The canonical SMILES for 4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine is ClCc1ccnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine?
The InChIKey is BZUNFEDBBARFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2/c12-7-10-4-5-14-11(15-10)8-2-1-3-9(13)6-8/h1-6H,7H2.
What are the key properties of 4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine?
4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine has a molecular weight of 239.11 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine is sourced from PubChem (CID 62747062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).