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

C11H9ClN4O — CID 83241683

IUPAC4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C11H9ClN4O/c12-10-14-9(15-11(13)16-10)7-1-2-8-6(5-7)3-4-17-8/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyHJBXLPSHJXKWHT-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.71
Rot. Bonds1

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

4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine (PubChem CID 83241683) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
PubChem CID83241683
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C11H9ClN4O/c12-10-14-9(15-11(13)16-10)7-1-2-8-6(5-7)3-4-17-8/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyHJBXLPSHJXKWHT-UHFFFAOYSA-N
XLogP1.71
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 104544765
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
CID 43804064
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 43804058
2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine
CID 66295990
7-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)quinazoline
CID 114590488
[2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250356
5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 66313992
4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865157

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine (CID 83241683) is 4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine?
The InChIKey is HJBXLPSHJXKWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-10-14-9(15-11(13)16-10)7-1-2-8-6(5-7)3-4-17-8/h1-2,5H,3-4H2,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine has a molecular weight of 248.67 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83241683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).