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

C6H8Cl2N2 — CID 145438720

IUPAC2,4-dichloro-5-ethyl-1,4-dihydropyrimidine
SMILESCCC1=CNC(Cl)=NC1Cl
InChIInChI=1S/C6H8Cl2N2/c1-2-4-3-9-6(8)10-5(4)7/h3,5H,2H2,1H3,(H,9,10)
InChIKeyOYOXRNFPLSPEMP-UHFFFAOYSA-N
MW179.05 g/mol
LogP2.04
Rot. Bonds1

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

2,4-dichloro-5-ethyl-1,4-dihydropyrimidine (PubChem CID 145438720) has the molecular formula C6H8Cl2N2 and a molecular weight of 179.05 g/mol. Its IUPAC name is 2,4-dichloro-5-ethyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-ethyl-1,4-dihydropyrimidine
PubChem CID145438720
Molecular FormulaC6H8Cl2N2
Molecular Weight179.05 g/mol
Exact Mass178.01
IUPAC Name2,4-dichloro-5-ethyl-1,4-dihydropyrimidine
SMILESCCC1=CNC(Cl)=NC1Cl
InChIInChI=1S/C6H8Cl2N2/c1-2-4-3-9-6(8)10-5(4)7/h3,5H,2H2,1H3,(H,9,10)
InChIKeyOYOXRNFPLSPEMP-UHFFFAOYSA-N
XLogP2.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.05
LogP ≤ 52.04
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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Related Compounds

2,4-Dichloro-5-methyl-1,4-dihydropyrimidine
CID 89256540
2-Chloro-5-ethyl-1,4-dihydropyrimidine
CID 90758518
4-Chloro-5-methyl-1,4-dihydropyrimidine
CID 91420288
2,4-Dichloro-5-cyclopropyl-1,4-dihydropyrimidine
CID 123826437
2,4,6-Trichloro-5-propan-2-yl-1,4-dihydropyrimidine
CID 143620786
2,4-Dichloro-5-ethyl-1,4-dihydropyrimidine;ethane
CID 145438719

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-ethyl-1,4-dihydropyrimidine?
The IUPAC name of 2,4-dichloro-5-ethyl-1,4-dihydropyrimidine (CID 145438720) is 2,4-dichloro-5-ethyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2,4-dichloro-5-ethyl-1,4-dihydropyrimidine?
The canonical SMILES for 2,4-dichloro-5-ethyl-1,4-dihydropyrimidine is CCC1=CNC(Cl)=NC1Cl.
What is the InChIKey of 2,4-dichloro-5-ethyl-1,4-dihydropyrimidine?
The InChIKey is OYOXRNFPLSPEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N2/c1-2-4-3-9-6(8)10-5(4)7/h3,5H,2H2,1H3,(H,9,10).
What are the key properties of 2,4-dichloro-5-ethyl-1,4-dihydropyrimidine?
2,4-dichloro-5-ethyl-1,4-dihydropyrimidine has a molecular weight of 179.05 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-ethyl-1,4-dihydropyrimidine is sourced from PubChem (CID 145438720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).