2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine

C13H8Cl2N2O — CID 114734206

IUPAC2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine
SMILESCc1cc(-c2cc3cc(Cl)ccc3o2)nc(Cl)n1
InChIInChI=1S/C13H8Cl2N2O/c1-7-4-10(17-13(15)16-7)12-6-8-5-9(14)2-3-11(8)18-12/h2-6H,1H3
InChIKeyFUKZDHMSIDIENK-UHFFFAOYSA-N
MW279.13 g/mol
LogP4.51
Rot. Bonds1

About 2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine

2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine (PubChem CID 114734206) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine
PubChem CID114734206
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine
SMILESCc1cc(-c2cc3cc(Cl)ccc3o2)nc(Cl)n1
InChIInChI=1S/C13H8Cl2N2O/c1-7-4-10(17-13(15)16-7)12-6-8-5-9(14)2-3-11(8)18-12/h2-6H,1H3
InChIKeyFUKZDHMSIDIENK-UHFFFAOYSA-N
XLogP4.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734218
6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734697
6-(5-chloro-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734745
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine
CID 114734715
4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
CID 71930204
2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
CID 114731877
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
CID 83240225
3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline
CID 107626948
2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 44607261
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898
N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 25470108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine (CID 114734206) is 2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine is Cc1cc(-c2cc3cc(Cl)ccc3o2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine?
The InChIKey is FUKZDHMSIDIENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c1-7-4-10(17-13(15)16-7)12-6-8-5-9(14)2-3-11(8)18-12/h2-6H,1H3.
What are the key properties of 2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine?
2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine has a molecular weight of 279.13 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine is sourced from PubChem (CID 114734206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).