2-(chloromethyl)-4-methylpyrimidine

C6H7ClN2 — CID 12877372

IUPAC2-(chloromethyl)-4-methylpyrimidine
SMILESCc1ccnc(CCl)n1
InChIInChI=1S/C6H7ClN2/c1-5-2-3-8-6(4-7)9-5/h2-3H,4H2,1H3
InChIKeyKIXTVKIOVXMYGL-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.52
Rot. Bonds1

About 2-(chloromethyl)-4-methylpyrimidine

2-(chloromethyl)-4-methylpyrimidine (PubChem CID 12877372) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4-methylpyrimidine
PubChem CID12877372
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name2-(chloromethyl)-4-methylpyrimidine
SMILESCc1ccnc(CCl)n1
InChIInChI=1S/C6H7ClN2/c1-5-2-3-8-6(4-7)9-5/h2-3H,4H2,1H3
InChIKeyKIXTVKIOVXMYGL-UHFFFAOYSA-N
XLogP1.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.52
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-Amino-4-methylpyrimidine
CID 7939
4-Methylpyrimidine
CID 18922
2-Chloro-4-(trifluoromethyl)pyrimidine
CID 2773912
2-Chloro-4-methylpyrimidine
CID 11629607
2-Fluoro-4-methylpyrimidine
CID 17804394
2-Chloro-4-ethenylpyrimidine
CID 45080173
4-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)pyrimidine-2-carboximidamide
CID 10398061
2-Bromo-4-methylpyrimidine
CID 10942928
4-Methylpyrimidine-2-carbonitrile
CID 12684324
2-(Chloromethyl)pyrimidine
CID 12877371
4-(Chloromethyl)pyrimidine
CID 13123553
2,5-Dichloro-4-methylpyrimidine
CID 21278621

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methylpyrimidine?
The IUPAC name of 2-(chloromethyl)-4-methylpyrimidine (CID 12877372) is 2-(chloromethyl)-4-methylpyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4-methylpyrimidine?
The canonical SMILES for 2-(chloromethyl)-4-methylpyrimidine is Cc1ccnc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-methylpyrimidine?
The InChIKey is KIXTVKIOVXMYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-5-2-3-8-6(4-7)9-5/h2-3H,4H2,1H3.
What are the key properties of 2-(chloromethyl)-4-methylpyrimidine?
2-(chloromethyl)-4-methylpyrimidine has a molecular weight of 142.59 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methylpyrimidine is sourced from PubChem (CID 12877372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).