2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine

C8H3Cl2FN2O — CID 146458949

IUPAC2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine
SMILESFc1cc(-c2cc(Cl)nc(Cl)n2)co1
InChIInChI=1S/C8H3Cl2FN2O/c9-6-2-5(12-8(10)13-6)4-1-7(11)14-3-4/h1-3H
InChIKeyNZPUSPGVUOZHHT-UHFFFAOYSA-N
MW233.03 g/mol
LogP3.18
Rot. Bonds1

About 2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine

2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine (PubChem CID 146458949) has the molecular formula C8H3Cl2FN2O and a molecular weight of 233.03 g/mol. Its IUPAC name is 2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine
PubChem CID146458949
Molecular FormulaC8H3Cl2FN2O
Molecular Weight233.03 g/mol
Exact Mass231.96
IUPAC Name2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine
SMILESFc1cc(-c2cc(Cl)nc(Cl)n2)co1
InChIInChI=1S/C8H3Cl2FN2O/c9-6-2-5(12-8(10)13-6)4-1-7(11)14-3-4/h1-3H
InChIKeyNZPUSPGVUOZHHT-UHFFFAOYSA-N
XLogP3.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-6-furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10107625
4-Chloro-6-ethyl-2-(furan-3-yl)pyrimidine
CID 63204889
2,4-Dichloro-6-(2-furyl)pyrimidine
CID 57592532
4-(2,4-Dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine
CID 126962328
2-Chloro-4-(furan-3-yl)pyrimidine
CID 14745028
2-Chloro-4-(furan-3-yl)-6-phenylpyrimidine
CID 168489316
2-Chloro-5-fluoro-4-(furan-3-yl)pyrimidine
CID 79078665
5-Fluoro-4-(furan-3-yl)pyrimidin-2-amine
CID 80137086
4-Chloro-5-fluoro-6-methyl-2-(2-methylfuran-3-yl)pyrimidine
CID 104789158
4-Chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine
CID 106768907
6-(furan-3-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769481
6-(Furan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769483

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine?
The IUPAC name of 2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine (CID 146458949) is 2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine is Fc1cc(-c2cc(Cl)nc(Cl)n2)co1.
What is the InChIKey of 2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine?
The InChIKey is NZPUSPGVUOZHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FN2O/c9-6-2-5(12-8(10)13-6)4-1-7(11)14-3-4/h1-3H.
What are the key properties of 2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine?
2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine has a molecular weight of 233.03 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(5-fluorofuran-3-yl)pyrimidine is sourced from PubChem (CID 146458949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).