2-(chloromethyl)pyrimidine

C5H5ClN2 — CID 12877371

IUPAC2-(chloromethyl)pyrimidine
SMILESClCc1ncccn1
InChIInChI=1S/C5H5ClN2/c6-4-5-7-2-1-3-8-5/h1-3H,4H2
InChIKeyMSFVEEFXECBJPG-UHFFFAOYSA-N
MW128.56 g/mol
LogP1.22
Rot. Bonds1

About 2-(chloromethyl)pyrimidine

2-(chloromethyl)pyrimidine (PubChem CID 12877371) has the molecular formula C5H5ClN2 and a molecular weight of 128.56 g/mol. Its IUPAC name is 2-(chloromethyl)pyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)pyrimidine
PubChem CID12877371
Molecular FormulaC5H5ClN2
Molecular Weight128.56 g/mol
Exact Mass128.01
IUPAC Name2-(chloromethyl)pyrimidine
SMILESClCc1ncccn1
InChIInChI=1S/C5H5ClN2/c6-4-5-7-2-1-3-8-5/h1-3H,4H2
InChIKeyMSFVEEFXECBJPG-UHFFFAOYSA-N
XLogP1.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.56
LogP ≤ 51.22
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-Aminopyrimidine
CID 7978
Pyrimidine
CID 9260
2-Bromopyrimidine
CID 78345
2,4-Diaminopyrimidine
CID 67431
2,4-Dichloropyrimidine
CID 77531
2-Cyanopyrimidine
CID 2757979
N-methylpyrimidin-2-amine
CID 265776
2-Methylpyrimidin-4-amine
CID 295763
2-Chloro-N,N-dimethylpyrimidin-4-amine
CID 95975
2-Fluoropyrimidine
CID 141643
5-Chloropyrimidine-2-carbonitrile
CID 820198
4-Aminopyrimidine
CID 68958

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)pyrimidine?
The IUPAC name of 2-(chloromethyl)pyrimidine (CID 12877371) is 2-(chloromethyl)pyrimidine.
What is the SMILES notation for 2-(chloromethyl)pyrimidine?
The canonical SMILES for 2-(chloromethyl)pyrimidine is ClCc1ncccn1.
What is the InChIKey of 2-(chloromethyl)pyrimidine?
The InChIKey is MSFVEEFXECBJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2/c6-4-5-7-2-1-3-8-5/h1-3H,4H2.
What are the key properties of 2-(chloromethyl)pyrimidine?
2-(chloromethyl)pyrimidine has a molecular weight of 128.56 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)pyrimidine is sourced from PubChem (CID 12877371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).