2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine

C8H4ClFN2O — CID 79078665

IUPAC2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine
SMILESFc1cnc(Cl)nc1-c1ccoc1
InChIInChI=1S/C8H4ClFN2O/c9-8-11-3-6(10)7(12-8)5-1-2-13-4-5/h1-4H
InChIKeyOESWOCJTRMYJAX-UHFFFAOYSA-N
MW198.58 g/mol
LogP2.53
Rot. Bonds1

About 2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine

2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine (PubChem CID 79078665) has the molecular formula C8H4ClFN2O and a molecular weight of 198.58 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine
PubChem CID79078665
Molecular FormulaC8H4ClFN2O
Molecular Weight198.58 g/mol
Exact Mass198.00
IUPAC Name2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine
SMILESFc1cnc(Cl)nc1-c1ccoc1
InChIInChI=1S/C8H4ClFN2O/c9-8-11-3-6(10)7(12-8)5-1-2-13-4-5/h1-4H
InChIKeyOESWOCJTRMYJAX-UHFFFAOYSA-N
XLogP2.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3232979
N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine
CID 3233619
N-cyclopropyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3233771
6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3234243
4-Chloro-6-furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10107625
4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 44289422
4-(2,5-dimethylfuran-3-yl)-N-phenylpyrimidin-2-amine
CID 14346996
5-(furan-3-yl)-N-phenylpyrimidin-4-amine
CID 3233479
4-(Furan-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 3233506
6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 3233868
6-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3234344
6-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 3234392

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine (CID 79078665) is 2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine is Fc1cnc(Cl)nc1-c1ccoc1.
What is the InChIKey of 2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine?
The InChIKey is OESWOCJTRMYJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O/c9-8-11-3-6(10)7(12-8)5-1-2-13-4-5/h1-4H.
What are the key properties of 2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine?
2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine has a molecular weight of 198.58 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine is sourced from PubChem (CID 79078665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).