4-chloro-5-(2-chloroethyl)pyrimidine

C6H6Cl2N2 — CID 119087985

IUPAC4-chloro-5-(2-chloroethyl)pyrimidine
SMILESClCCc1cncnc1Cl
InChIInChI=1S/C6H6Cl2N2/c7-2-1-5-3-9-4-10-6(5)8/h3-4H,1-2H2
InChIKeyWWQRBWHHBMWGFU-UHFFFAOYSA-N
MW177.03 g/mol
LogP1.91
Rot. Bonds2

About 4-chloro-5-(2-chloroethyl)pyrimidine

4-chloro-5-(2-chloroethyl)pyrimidine (PubChem CID 119087985) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is 4-chloro-5-(2-chloroethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(2-chloroethyl)pyrimidine
PubChem CID119087985
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC Name4-chloro-5-(2-chloroethyl)pyrimidine
SMILESClCCc1cncnc1Cl
InChIInChI=1S/C6H6Cl2N2/c7-2-1-5-3-9-4-10-6(5)8/h3-4H,1-2H2
InChIKeyWWQRBWHHBMWGFU-UHFFFAOYSA-N
XLogP1.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 51.91
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-(2-chloroethyl)-1,3,5-triazine
CID 69167815
4-chloro-5-(thiophen-3-ylmethyl)pyrimidine
CID 139023792
4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine
CID 105371332
5-(chloromethyl)-4-propylpyrimidine
CID 130483129
5-butyl-4-[(4-tert-butylphenyl)methoxy]pyrimidine;5-butyl-4-chloropyrimidine
CID 158082890
3-(2-chloroethyl)-4-methylpyridine
CID 65438533
5-(chloromethyl)-4-(trifluoromethyl)pyrimidine
CID 126974133
4-chloro-5-pyridin-2-ylpyrimidine
CID 105371145
4-chloro-5-methylsulfonylpyrimidine
CID 105446605
4-fluoro-5-propylpyrimidine
CID 168992150
5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine
CID 130088704
4-chloro-6-pyrimidin-5-ylpyrimidine-5-carbaldehyde
CID 79072664

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-chloroethyl)pyrimidine?
The IUPAC name of 4-chloro-5-(2-chloroethyl)pyrimidine (CID 119087985) is 4-chloro-5-(2-chloroethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-(2-chloroethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-(2-chloroethyl)pyrimidine is ClCCc1cncnc1Cl.
What is the InChIKey of 4-chloro-5-(2-chloroethyl)pyrimidine?
The InChIKey is WWQRBWHHBMWGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2/c7-2-1-5-3-9-4-10-6(5)8/h3-4H,1-2H2.
What are the key properties of 4-chloro-5-(2-chloroethyl)pyrimidine?
4-chloro-5-(2-chloroethyl)pyrimidine has a molecular weight of 177.03 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-chloroethyl)pyrimidine is sourced from PubChem (CID 119087985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).