4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine

C12H9ClN4O — CID 83240225

IUPAC4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
SMILESCc1ccc2oc(-c3nc(N)nc(Cl)n3)cc2c1
InChIInChI=1S/C12H9ClN4O/c1-6-2-3-8-7(4-6)5-9(18-8)10-15-11(13)17-12(14)16-10/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyVGMCONDNNZQWKQ-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.83
Rot. Bonds1

About 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine (PubChem CID 83240225) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
PubChem CID83240225
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
SMILESCc1ccc2oc(-c3nc(N)nc(Cl)n3)cc2c1
InChIInChI=1S/C12H9ClN4O/c1-6-2-3-8-7(4-6)5-9(18-8)10-15-11(13)17-12(14)16-10/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyVGMCONDNNZQWKQ-UHFFFAOYSA-N
XLogP2.83
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734218
5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine
CID 114733092
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
CID 114731877
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine
CID 114734095
5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 105371620
2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine
CID 114734206
1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732238
5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile
CID 66009697
4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine
CID 114734506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine (CID 83240225) is 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine is Cc1ccc2oc(-c3nc(N)nc(Cl)n3)cc2c1.
What is the InChIKey of 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is VGMCONDNNZQWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-6-2-3-8-7(4-6)5-9(18-8)10-15-11(13)17-12(14)16-10/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 260.68 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).