2,4-dichloro-5-methyl-1,4-dihydropyrimidine

C5H6Cl2N2 — CID 89256540

IUPAC2,4-dichloro-5-methyl-1,4-dihydropyrimidine
SMILESCC1=CNC(Cl)=NC1Cl
InChIInChI=1S/C5H6Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2,4H,1H3,(H,8,9)
InChIKeyKECWMUKMWYSZIB-UHFFFAOYSA-N
MW165.02 g/mol
LogP1.65
Rot. Bonds

About 2,4-dichloro-5-methyl-1,4-dihydropyrimidine

2,4-dichloro-5-methyl-1,4-dihydropyrimidine (PubChem CID 89256540) has the molecular formula C5H6Cl2N2 and a molecular weight of 165.02 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-1,4-dihydropyrimidine
PubChem CID89256540
Molecular FormulaC5H6Cl2N2
Molecular Weight165.02 g/mol
Exact Mass163.99
IUPAC Name2,4-dichloro-5-methyl-1,4-dihydropyrimidine
SMILESCC1=CNC(Cl)=NC1Cl
InChIInChI=1S/C5H6Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2,4H,1H3,(H,8,9)
InChIKeyKECWMUKMWYSZIB-UHFFFAOYSA-N
XLogP1.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 51.65
H-Bond Donors ≤ 51
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-5-methyl-1,4-dihydropyrimidine?
The IUPAC name of 2,4-dichloro-5-methyl-1,4-dihydropyrimidine (CID 89256540) is 2,4-dichloro-5-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2,4-dichloro-5-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 2,4-dichloro-5-methyl-1,4-dihydropyrimidine is CC1=CNC(Cl)=NC1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-1,4-dihydropyrimidine?
The InChIKey is KECWMUKMWYSZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2,4H,1H3,(H,8,9).
What are the key properties of 2,4-dichloro-5-methyl-1,4-dihydropyrimidine?
2,4-dichloro-5-methyl-1,4-dihydropyrimidine has a molecular weight of 165.02 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 89256540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).