6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine

C15H17ClN4O — CID 95215174

IUPAC6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine
SMILESCN(C)c1cncc(-c2cc(Cl)cc3c2O[C@H](CN)C3)n1
InChIInChI=1S/C15H17ClN4O/c1-20(2)14-8-18-7-13(19-14)12-5-10(16)3-9-4-11(6-17)21-15(9)12/h3,5,7-8,11H,4,6,17H2,1-2H3/t11-/m0/s1
InChIKeyUVNQRMQUQKYZBR-NSHDSACASA-N
MW304.78 g/mol
LogP2.13
Rot. Bonds3

About 6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine

6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine (PubChem CID 95215174) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine
PubChem CID95215174
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine
SMILESCN(C)c1cncc(-c2cc(Cl)cc3c2O[C@H](CN)C3)n1
InChIInChI=1S/C15H17ClN4O/c1-20(2)14-8-18-7-13(19-14)12-5-10(16)3-9-4-11(6-17)21-15(9)12/h3,5,7-8,11H,4,6,17H2,1-2H3/t11-/m0/s1
InChIKeyUVNQRMQUQKYZBR-NSHDSACASA-N
XLogP2.13
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine?
The IUPAC name of 6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine (CID 95215174) is 6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine.
What is the SMILES notation for 6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine?
The canonical SMILES for 6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine is CN(C)c1cncc(-c2cc(Cl)cc3c2O[C@H](CN)C3)n1.
What is the InChIKey of 6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine?
The InChIKey is UVNQRMQUQKYZBR-NSHDSACASA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-20(2)14-8-18-7-13(19-14)12-5-10(16)3-9-4-11(6-17)21-15(9)12/h3,5,7-8,11H,4,6,17H2,1-2H3/t11-/m0/s1.
What are the key properties of 6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine?
6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine has a molecular weight of 304.78 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine is sourced from PubChem (CID 95215174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).