3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one

C18H19N5O — CID 68605567

IUPAC3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
SMILESCc1c(N)cccc1-c1cn(C)c(=O)c(Nc2cccc(N)c2)n1
InChIInChI=1S/C18H19N5O/c1-11-14(7-4-8-15(11)20)16-10-23(2)18(24)17(22-16)21-13-6-3-5-12(19)9-13/h3-10H,19-20H2,1-2H3,(H,21,22)
InChIKeyFHHRXTFDNKSGOD-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.66
Rot. Bonds3

About 3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one

3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one (PubChem CID 68605567) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
PubChem CID68605567
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
SMILESCc1c(N)cccc1-c1cn(C)c(=O)c(Nc2cccc(N)c2)n1
InChIInChI=1S/C18H19N5O/c1-11-14(7-4-8-15(11)20)16-10-23(2)18(24)17(22-16)21-13-6-3-5-12(19)9-13/h3-10H,19-20H2,1-2H3,(H,21,22)
InChIKeyFHHRXTFDNKSGOD-UHFFFAOYSA-N
XLogP2.66
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
CID 143293167
3-[3-amino-4-(3-hydroxypyrrolidin-1-yl)anilino]-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
CID 143293259
(2S)-N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]oxolane-2-carboxamide
CID 143293324
oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate
CID 143293362
5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
CID 46942383
5-(3-amino-2-methylphenyl)-3-[4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]anilino]-1-methylpyrazin-2-one
CID 118728357
5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one
CID 68874747
1-[2-amino-4-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]piperidine-4-carboxamide
CID 143646223
N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide
CID 143646336
3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide
CID 68605505
3-[6-[3-amino-4-(3-hydroxypyrrolidine-1-carbonyl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide
CID 68604445
5-(3-amino-2-fluorophenyl)-3-[3-amino-4-(morpholine-4-carbonyl)anilino]-1-methylpyrazin-2-one
CID 68607099

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one?
The IUPAC name of 3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one (CID 68605567) is 3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one is Cc1c(N)cccc1-c1cn(C)c(=O)c(Nc2cccc(N)c2)n1.
What is the InChIKey of 3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one?
The InChIKey is FHHRXTFDNKSGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-14(7-4-8-15(11)20)16-10-23(2)18(24)17(22-16)21-13-6-3-5-12(19)9-13/h3-10H,19-20H2,1-2H3,(H,21,22).
What are the key properties of 3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one?
3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one is sourced from PubChem (CID 68605567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).