4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine

C11H7Cl3N2 — CID 130088742

IUPAC4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine
SMILESClCc1ncncc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H7Cl3N2/c12-4-11-9(5-15-6-16-11)8-2-1-7(13)3-10(8)14/h1-3,5-6H,4H2
InChIKeyUXRSWTVZTVATTB-UHFFFAOYSA-N
MW273.55 g/mol
LogP4.19
Rot. Bonds2

About 4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine

4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine (PubChem CID 130088742) has the molecular formula C11H7Cl3N2 and a molecular weight of 273.55 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine
PubChem CID130088742
Molecular FormulaC11H7Cl3N2
Molecular Weight273.55 g/mol
Exact Mass271.97
IUPAC Name4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine
SMILESClCc1ncncc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H7Cl3N2/c12-4-11-9(5-15-6-16-11)8-2-1-7(13)3-10(8)14/h1-3,5-6H,4H2
InChIKeyUXRSWTVZTVATTB-UHFFFAOYSA-N
XLogP4.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 54.19
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

[3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol
CID 133088589
4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole
CID 65240257
3-(2,4-dichlorophenyl)pyridine-4-carbonitrile
CID 133095084
3-(2,4-dichlorophenyl)-4-ethynylpyridine
CID 169447929
4-(bromomethyl)-5-chloropyrimidine
CID 118464753
4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine
CID 91088222
3-(2,4-dichlorophenyl)-2,5-difluoropyridine
CID 133090808
6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol
CID 119005357
3-(2,4-dichlorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 133090824
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
4-(2,4-dichlorophenyl)-1,3-thiazole
CID 4009904
6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine
CID 10924717

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine?
The IUPAC name of 4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine (CID 130088742) is 4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine.
What is the SMILES notation for 4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine?
The canonical SMILES for 4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine is ClCc1ncncc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine?
The InChIKey is UXRSWTVZTVATTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2/c12-4-11-9(5-15-6-16-11)8-2-1-7(13)3-10(8)14/h1-3,5-6H,4H2.
What are the key properties of 4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine?
4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine has a molecular weight of 273.55 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine is sourced from PubChem (CID 130088742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).