4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine

C15H15N3O — CID 155920140

IUPAC4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
SMILESCc1oc2ccc(-c3cc(N)nc(N)c3)cc2c1C
InChIInChI=1S/C15H15N3O/c1-8-9(2)19-13-4-3-10(5-12(8)13)11-6-14(16)18-15(17)7-11/h3-7H,1-2H3,(H4,16,17,18)
InChIKeyPZRAWCBVDRNTDQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.28
Rot. Bonds1

About 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine

4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine (PubChem CID 155920140) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
PubChem CID155920140
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
SMILESCc1oc2ccc(-c3cc(N)nc(N)c3)cc2c1C
InChIInChI=1S/C15H15N3O/c1-8-9(2)19-13-4-3-10(5-12(8)13)11-6-14(16)18-15(17)7-11/h3-7H,1-2H3,(H4,16,17,18)
InChIKeyPZRAWCBVDRNTDQ-UHFFFAOYSA-N
XLogP3.28
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-Benzofuran-5-yl)pyridine-2,6-diamine
CID 155920134
4-(1-Benzofuran-5-yl)pyridin-2-amine
CID 155920136
N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 155920138
4-(2-Methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
CID 155920139
2-Amino-4-(5-methyl-2-furyl)-6-phenylnicotinonitrile
CID 3355257
1-[4-(1-Benzofuran-5-yl)pyridin-2-yl]piperazine
CID 155920137
5-[3-(2-Aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine
CID 44532129
2-[2-Fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide
CID 70688384
4-(1-Benzofuran-5-yl)-6-methylpyridin-2-amine
CID 166627502
4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine
CID 166629363
4-(2,3-Dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine
CID 166631199
4-(2-Chloro-1-benzofuran-5-yl)pyridine-2,6-diamine
CID 166632063

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine (CID 155920140) is 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine is Cc1oc2ccc(-c3cc(N)nc(N)c3)cc2c1C.
What is the InChIKey of 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine?
The InChIKey is PZRAWCBVDRNTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-8-9(2)19-13-4-3-10(5-12(8)13)11-6-14(16)18-15(17)7-11/h3-7H,1-2H3,(H4,16,17,18).
What are the key properties of 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine?
4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine has a molecular weight of 253.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 155920140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).