5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine

C15H15N3O — CID 114734623

IUPAC5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
SMILESCc1nc(N)c(-c2cc3cccc(C)c3o2)nc1C
InChIInChI=1S/C15H15N3O/c1-8-5-4-6-11-7-12(19-14(8)11)13-15(16)18-10(3)9(2)17-13/h4-7H,1-3H3,(H2,16,18)
InChIKeyFXOKGPHRMJPEHQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.40
Rot. Bonds1

About 5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine

5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine (PubChem CID 114734623) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
PubChem CID114734623
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
SMILESCc1nc(N)c(-c2cc3cccc(C)c3o2)nc1C
InChIInChI=1S/C15H15N3O/c1-8-5-4-6-11-7-12(19-14(8)11)13-15(16)18-10(3)9(2)17-13/h4-7H,1-3H3,(H2,16,18)
InChIKeyFXOKGPHRMJPEHQ-UHFFFAOYSA-N
XLogP3.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734685
6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 114734652
5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734621
2-(7-methyl-1-benzofuran-2-yl)pyridin-4-amine
CID 114731846
N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734639
3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine
CID 114734145
6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine
CID 114734957
N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734672
5-(7-fluoro-1-benzofuran-2-yl)-3-methylpyridin-2-amine
CID 114731979
6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine
CID 114256473
3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole
CID 114732983
N-methyl-6-(7-methyl-1-benzofuran-2-yl)-5-nitropyrimidin-4-amine
CID 114734671

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine?
The IUPAC name of 5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine (CID 114734623) is 5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine?
The canonical SMILES for 5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine is Cc1nc(N)c(-c2cc3cccc(C)c3o2)nc1C.
What is the InChIKey of 5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine?
The InChIKey is FXOKGPHRMJPEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-8-5-4-6-11-7-12(19-14(8)11)13-15(16)18-10(3)9(2)17-13/h4-7H,1-3H3,(H2,16,18).
What are the key properties of 5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine?
5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine has a molecular weight of 253.30 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine is sourced from PubChem (CID 114734623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).