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

C4H3Cl2FN2 — CID 15933889

IUPAC2,4-dichloro-5-fluoro-1,4-dihydropyrimidine
SMILESFC1=CNC(Cl)=NC1Cl
InChIInChI=1S/C4H3Cl2FN2/c5-3-2(7)1-8-4(6)9-3/h1,3H,(H,8,9)
InChIKeyOGNSKFVKFYDDFN-UHFFFAOYSA-N
MW168.99 g/mol
LogP1.56
Rot. Bonds

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

2,4-dichloro-5-fluoro-1,4-dihydropyrimidine (PubChem CID 15933889) has the molecular formula C4H3Cl2FN2 and a molecular weight of 168.99 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-1,4-dihydropyrimidine
PubChem CID15933889
Molecular FormulaC4H3Cl2FN2
Molecular Weight168.99 g/mol
Exact Mass167.97
IUPAC Name2,4-dichloro-5-fluoro-1,4-dihydropyrimidine
SMILESFC1=CNC(Cl)=NC1Cl
InChIInChI=1S/C4H3Cl2FN2/c5-3-2(7)1-8-4(6)9-3/h1,3H,(H,8,9)
InChIKeyOGNSKFVKFYDDFN-UHFFFAOYSA-N
XLogP1.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.99
LogP ≤ 51.56
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-fluoro-1,4-dihydropyrimidine?
The IUPAC name of 2,4-dichloro-5-fluoro-1,4-dihydropyrimidine (CID 15933889) is 2,4-dichloro-5-fluoro-1,4-dihydropyrimidine.
What is the SMILES notation for 2,4-dichloro-5-fluoro-1,4-dihydropyrimidine?
The canonical SMILES for 2,4-dichloro-5-fluoro-1,4-dihydropyrimidine is FC1=CNC(Cl)=NC1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-1,4-dihydropyrimidine?
The InChIKey is OGNSKFVKFYDDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2FN2/c5-3-2(7)1-8-4(6)9-3/h1,3H,(H,8,9).
What are the key properties of 2,4-dichloro-5-fluoro-1,4-dihydropyrimidine?
2,4-dichloro-5-fluoro-1,4-dihydropyrimidine has a molecular weight of 168.99 g/mol, XLogP of 1.56, 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-fluoro-1,4-dihydropyrimidine is sourced from PubChem (CID 15933889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).