6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine

C15H15N5 — CID 62848085

IUPAC6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine
SMILESCc1cnc(CNc2ccc3ncccc3c2N)cn1
InChIInChI=1S/C15H15N5/c1-10-7-19-11(8-18-10)9-20-14-5-4-13-12(15(14)16)3-2-6-17-13/h2-8,20H,9,16H2,1H3
InChIKeySVJQUZHDKAKERD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds3

About 6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine

6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine (PubChem CID 62848085) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine
PubChem CID62848085
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine
SMILESCc1cnc(CNc2ccc3ncccc3c2N)cn1
InChIInChI=1S/C15H15N5/c1-10-7-19-11(8-18-10)9-20-14-5-4-13-12(15(14)16)3-2-6-17-13/h2-8,20H,9,16H2,1H3
InChIKeySVJQUZHDKAKERD-UHFFFAOYSA-N
XLogP2.53
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-N-[(6-methyl-3-pyridinyl)methyl]quinoline-5,6-diamine
CID 62997443
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
6-N-ethylquinoline-5,6-diamine
CID 43809532
6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine
CID 82881645
4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine
CID 103963247
6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 82733268
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
4-bromo-1-N-[(5-methylpyrazin-2-yl)methyl]benzene-1,2-diamine
CID 62845892
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
6-N-cyclopropylquinoline-5,6-diamine
CID 43809527
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine?
The IUPAC name of 6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine (CID 62848085) is 6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine.
What is the SMILES notation for 6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine?
The canonical SMILES for 6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine is Cc1cnc(CNc2ccc3ncccc3c2N)cn1.
What is the InChIKey of 6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine?
The InChIKey is SVJQUZHDKAKERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-7-19-11(8-18-10)9-20-14-5-4-13-12(15(14)16)3-2-6-17-13/h2-8,20H,9,16H2,1H3.
What are the key properties of 6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine?
6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine has a molecular weight of 265.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine is sourced from PubChem (CID 62848085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).