2,4-dichloro-1-methyl-2H-pyrimidine

C5H6Cl2N2 — CID 123664225

IUPAC2,4-dichloro-1-methyl-2H-pyrimidine
SMILESCN1C=CC(Cl)=NC1Cl
InChIInChI=1S/C5H6Cl2N2/c1-9-3-2-4(6)8-5(9)7/h2-3,5H,1H3
InChIKeyNAZPGRDADFSWKE-UHFFFAOYSA-N
MW165.02 g/mol
LogP1.61
Rot. Bonds

About 2,4-dichloro-1-methyl-2H-pyrimidine

2,4-dichloro-1-methyl-2H-pyrimidine (PubChem CID 123664225) has the molecular formula C5H6Cl2N2 and a molecular weight of 165.02 g/mol. Its IUPAC name is 2,4-dichloro-1-methyl-2H-pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-1-methyl-2H-pyrimidine
PubChem CID123664225
Molecular FormulaC5H6Cl2N2
Molecular Weight165.02 g/mol
Exact Mass163.99
IUPAC Name2,4-dichloro-1-methyl-2H-pyrimidine
SMILESCN1C=CC(Cl)=NC1Cl
InChIInChI=1S/C5H6Cl2N2/c1-9-3-2-4(6)8-5(9)7/h2-3,5H,1H3
InChIKeyNAZPGRDADFSWKE-UHFFFAOYSA-N
XLogP1.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-methyl-2H-pyrimidine?
The IUPAC name of 2,4-dichloro-1-methyl-2H-pyrimidine (CID 123664225) is 2,4-dichloro-1-methyl-2H-pyrimidine.
What is the SMILES notation for 2,4-dichloro-1-methyl-2H-pyrimidine?
The canonical SMILES for 2,4-dichloro-1-methyl-2H-pyrimidine is CN1C=CC(Cl)=NC1Cl.
What is the InChIKey of 2,4-dichloro-1-methyl-2H-pyrimidine?
The InChIKey is NAZPGRDADFSWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2/c1-9-3-2-4(6)8-5(9)7/h2-3,5H,1H3.
What are the key properties of 2,4-dichloro-1-methyl-2H-pyrimidine?
2,4-dichloro-1-methyl-2H-pyrimidine has a molecular weight of 165.02 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-methyl-2H-pyrimidine is sourced from PubChem (CID 123664225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).