4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine

C15H15N5 — CID 103963247

IUPAC4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine
SMILESCc1cnc(CNc2c(N)cnc3ccccc23)cn1
InChIInChI=1S/C15H15N5/c1-10-6-18-11(7-17-10)8-20-15-12-4-2-3-5-14(12)19-9-13(15)16/h2-7,9H,8,16H2,1H3,(H,19,20)
InChIKeyCMBVGNCDTFKMJU-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds3

About 4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine

4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine (PubChem CID 103963247) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine
PubChem CID103963247
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine
SMILESCc1cnc(CNc2c(N)cnc3ccccc23)cn1
InChIInChI=1S/C15H15N5/c1-10-6-18-11(7-17-10)8-20-15-12-4-2-3-5-14(12)19-9-13(15)16/h2-7,9H,8,16H2,1H3,(H,19,20)
InChIKeyCMBVGNCDTFKMJU-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

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Related Compounds

4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842
6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine
CID 62848085
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
N-[(5-methylpyrazin-2-yl)methyl]quinoxalin-2-amine
CID 62846299
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine
CID 114185848
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine?
The IUPAC name of 4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine (CID 103963247) is 4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine is Cc1cnc(CNc2c(N)cnc3ccccc23)cn1.
What is the InChIKey of 4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine?
The InChIKey is CMBVGNCDTFKMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-6-18-11(7-17-10)8-20-15-12-4-2-3-5-14(12)19-9-13(15)16/h2-7,9H,8,16H2,1H3,(H,19,20).
What are the key properties of 4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine?
4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-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 4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine is sourced from PubChem (CID 103963247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).