1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone

C14H16N4O — CID 104612748

IUPAC1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone
SMILESCC(=O)c1cc(NCc2cnc(C)cn2)ccc1N
InChIInChI=1S/C14H16N4O/c1-9-6-17-12(7-16-9)8-18-11-3-4-14(15)13(5-11)10(2)19/h3-7,18H,8,15H2,1-2H3
InChIKeyFZIUVBAHOFOEQO-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.18
Rot. Bonds4

About 1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone

1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone (PubChem CID 104612748) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone
PubChem CID104612748
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone
SMILESCC(=O)c1cc(NCc2cnc(C)cn2)ccc1N
InChIInChI=1S/C14H16N4O/c1-9-6-17-12(7-16-9)8-18-11-3-4-14(15)13(5-11)10(2)19/h3-7,18H,8,15H2,1-2H3
InChIKeyFZIUVBAHOFOEQO-UHFFFAOYSA-N
XLogP2.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.18
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

2-fluoro-4-[(5-methylpyrazin-2-yl)methylamino]benzoic acid
CID 115485406
1-N-[(5-methylpyrazin-2-yl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749266
2-bromo-4-[(5-methylpyrazin-2-yl)methylamino]benzenecarbothioamide
CID 107277746
2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 62989638
1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone
CID 106393014
6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine
CID 79827777
N-methyl-4-[(5-methylpyrazin-2-yl)methylamino]pyridine-2-carboxamide
CID 62845761
1-[2-amino-5-(2-methylpropylamino)phenyl]ethanone
CID 104612186
4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
CID 62846658
1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone
CID 104612656
1-[2-amino-5-[(5-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 113433041
1-[2-amino-5-(3-methylbut-2-enylamino)phenyl]ethanone
CID 106182377

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone (CID 104612748) is 1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone is CC(=O)c1cc(NCc2cnc(C)cn2)ccc1N.
What is the InChIKey of 1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone?
The InChIKey is FZIUVBAHOFOEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-6-17-12(7-16-9)8-18-11-3-4-14(15)13(5-11)10(2)19/h3-7,18H,8,15H2,1-2H3.
What are the key properties of 1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone?
1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone has a molecular weight of 256.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone is sourced from PubChem (CID 104612748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).