4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine

C12H6Cl2F2N2O — CID 59686249

IUPAC4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine
SMILESFc1cc(-c2nc(Cl)c3c(n2)COC3)c(F)cc1Cl
InChIInChI=1S/C12H6Cl2F2N2O/c13-7-2-8(15)5(1-9(7)16)12-17-10-4-19-3-6(10)11(14)18-12/h1-2H,3-4H2
InChIKeyRWDQCSMODUGILO-UHFFFAOYSA-N
MW303.10 g/mol
LogP3.76
Rot. Bonds1

About 4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine

4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine (PubChem CID 59686249) has the molecular formula C12H6Cl2F2N2O and a molecular weight of 303.10 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine
PubChem CID59686249
Molecular FormulaC12H6Cl2F2N2O
Molecular Weight303.10 g/mol
Exact Mass301.98
IUPAC Name4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine
SMILESFc1cc(-c2nc(Cl)c3c(n2)COC3)c(F)cc1Cl
InChIInChI=1S/C12H6Cl2F2N2O/c13-7-2-8(15)5(1-9(7)16)12-17-10-4-19-3-6(10)11(14)18-12/h1-2H,3-4H2
InChIKeyRWDQCSMODUGILO-UHFFFAOYSA-N
XLogP3.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine
CID 2763927
2-(4-Chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine
CID 71451374
4-Chloro-6-(1-ethoxyethenyl)-5-fluoro-2-phenylpyrimidine
CID 138971010
2-(5-Chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine
CID 21104307
4-Chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine
CID 21104338
5-Chloromethyl-4-methoxymethyl-6-methyl-2-(4-trifluoromethyl-phenyl)-pyrimidine
CID 21935757
4-Chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine
CID 55062550
2,4-Dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine
CID 58075496
2-(5-Chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine
CID 58916290
2-(4-Fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 83862369
4-Chloro-6-(phenylmethoxy-methyl)-2-[4-(trifluoromethyl)-phenyl]-pyrimidine
CID 117822074
4-Chloro-6-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrimidine
CID 122477277

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine (CID 59686249) is 4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine is Fc1cc(-c2nc(Cl)c3c(n2)COC3)c(F)cc1Cl.
What is the InChIKey of 4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine?
The InChIKey is RWDQCSMODUGILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F2N2O/c13-7-2-8(15)5(1-9(7)16)12-17-10-4-19-3-6(10)11(14)18-12/h1-2H,3-4H2.
What are the key properties of 4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine?
4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine has a molecular weight of 303.10 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-2,5-difluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine is sourced from PubChem (CID 59686249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).