5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine

C8H8ClN5 — CID 126974131

IUPAC5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine
SMILESCc1nc(-c2cn[nH]n2)ncc1CCl
InChIInChI=1S/C8H8ClN5/c1-5-6(2-9)3-10-8(12-5)7-4-11-14-13-7/h3-4H,2H2,1H3,(H,11,13,14)
InChIKeyIFJFXHJNBOFDJU-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.31
Rot. Bonds2

About 5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine

5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine (PubChem CID 126974131) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine
PubChem CID126974131
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine
SMILESCc1nc(-c2cn[nH]n2)ncc1CCl
InChIInChI=1S/C8H8ClN5/c1-5-6(2-9)3-10-8(12-5)7-4-11-14-13-7/h3-4H,2H2,1H3,(H,11,13,14)
InChIKeyIFJFXHJNBOFDJU-UHFFFAOYSA-N
XLogP1.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine
CID 130763318
5-(chloromethyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidine
CID 102722607
N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine
CID 130993339
ethyl 4-ethyl-2-(2H-triazol-4-yl)pyrimidine-5-carboxylate
CID 102972829
5-(chloromethyl)-4-methyl-2-(2-methylimidazol-1-yl)pyrimidine
CID 83184417
5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine
CID 130920630
5-(chloromethyl)-4-methyl-2-octoxypyrimidine
CID 83184945
4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine
CID 83184651
5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
CID 112588533
3,5-bis(2H-triazol-4-yl)-1H-1,2,4-triazole
CID 57317600
5-(chloromethyl)-4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidine
CID 114205496
2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine
CID 129051941

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine (CID 126974131) is 5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine is Cc1nc(-c2cn[nH]n2)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine?
The InChIKey is IFJFXHJNBOFDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-5-6(2-9)3-10-8(12-5)7-4-11-14-13-7/h3-4H,2H2,1H3,(H,11,13,14).
What are the key properties of 5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine?
5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine has a molecular weight of 209.64 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine is sourced from PubChem (CID 126974131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).