4,6-dichloro-5-(furan-2-yl)pyrimidine

C8H4Cl2N2O — CID 134229907

IUPAC4,6-dichloro-5-(furan-2-yl)pyrimidine
SMILESClc1ncnc(Cl)c1-c1ccco1
InChIInChI=1S/C8H4Cl2N2O/c9-7-6(5-2-1-3-13-5)8(10)12-4-11-7/h1-4H
InChIKeySPXQATMIMMFNGK-UHFFFAOYSA-N
MW215.04 g/mol
LogP3.04
Rot. Bonds1

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

4,6-dichloro-5-(furan-2-yl)pyrimidine (PubChem CID 134229907) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 4,6-dichloro-5-(furan-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(furan-2-yl)pyrimidine
PubChem CID134229907
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name4,6-dichloro-5-(furan-2-yl)pyrimidine
SMILESClc1ncnc(Cl)c1-c1ccco1
InChIInChI=1S/C8H4Cl2N2O/c9-7-6(5-2-1-3-13-5)8(10)12-4-11-7/h1-4H
InChIKeySPXQATMIMMFNGK-UHFFFAOYSA-N
XLogP3.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-Pyrimidinyl)-2-furancarboxaldehyde
CID 23004866
(4,6-Dichloropyrimidin-5-yl)(furan-2-yl)methanone
CID 58526528
5-(Furan-2-yl)pyrimidine
CID 12356584
2-Fluoro-5-(furan-2-yl)pyrimidine
CID 119083657
5-(3-Bromofuran-2-yl)pyrimidine
CID 146163724
4,6-Dichloro-5-(furan-3-yl)pyrimidine
CID 154717757
4-Chloro-5-fluoro-6-(furan-3-yl)pyrimidine
CID 168017440
2-Chloro-5-(2-furyl)pyrimidine
CID 12356583
5-(Furan-2-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
CID 14914580
5-(Furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 17882219
5-(Furan-2-yl)-2-methoxypyrimidine
CID 20754770
4-Chloro-6-(furan-3-yl)pyrimidine
CID 24902103

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(furan-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(furan-2-yl)pyrimidine (CID 134229907) is 4,6-dichloro-5-(furan-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(furan-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(furan-2-yl)pyrimidine is Clc1ncnc(Cl)c1-c1ccco1.
What is the InChIKey of 4,6-dichloro-5-(furan-2-yl)pyrimidine?
The InChIKey is SPXQATMIMMFNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-7-6(5-2-1-3-13-5)8(10)12-4-11-7/h1-4H.
What are the key properties of 4,6-dichloro-5-(furan-2-yl)pyrimidine?
4,6-dichloro-5-(furan-2-yl)pyrimidine has a molecular weight of 215.04 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(furan-2-yl)pyrimidine is sourced from PubChem (CID 134229907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).