3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one

C18H26N4O — CID 133424352

IUPAC3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1=O
InChIInChI=1S/C18H26N4O/c1-14(2)12-22-11-10-19-17(18(22)23)21(5)13-15-6-8-16(9-7-15)20(3)4/h6-11,14H,12-13H2,1-5H3
InChIKeyYPMWEFFXJGCQSL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.60
Rot. Bonds6

About 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 133424352) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID133424352
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1=O
InChIInChI=1S/C18H26N4O/c1-14(2)12-22-11-10-19-17(18(22)23)21(5)13-15-6-8-16(9-7-15)20(3)4/h6-11,14H,12-13H2,1-5H3
InChIKeyYPMWEFFXJGCQSL-UHFFFAOYSA-N
XLogP2.60
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(R)-5-chloro-1-(1-cyclopropylpropyl)-3-(mesitylamino)pyrazin-2(1H)-one
CID 44189950
5-Chloro-1-(1-ethylpropyl)-3-(2,4,6-trimethylphenylamino)pyrazin-2(1H)-one
CID 15485770
1-(4-Diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine
CID 100732
1-(3,5-Dimethylphenyl)-3-{[(4-fluorophenyl)methyl]amino}-1,2-dihydropyrazin-2-one
CID 16025759
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(mesitylamino)pyrazin-2(1H)-one
CID 44189946
5-Chloro-1-(2-ethylbutyl)-3-(2,4,6-trimethylphenylamino)pyrazin-2(1H)-one
CID 44189948
5-Chloro-1-(1-propylbutyl)-3-(2,4,6-trimethylphenylamino)-pyrazin-2(1H)-one
CID 44189949
(R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,4-dimethylphenylamino)-pyrazin-2(1H)-one
CID 44190335
(R)-5-Chloro-1-(1-cyclopropylpropyl)-3-[ethyl(2,4,6-trimethylphenyl)amino]pyrazin-2(1H)-one
CID 44190341
N-(3-Aminomethyl-phenyl)-2-{5-chloro-6-methyl-2-oxo-3-[(piperidin-3-ylmethyl)-amino]-2H-pyrazin-1-yl}-acetamide
CID 44394199
1,4-Bis(4-methylphenyl)piperazine-2,5-dione
CID 576878
2,3-Piperazinedione, 1-(2-aminoethyl)-4-((4-(diethylamino)phenyl)methyl)-
CID 3060246

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 133424352) is 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1=O.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is YPMWEFFXJGCQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(2)12-22-11-10-19-17(18(22)23)21(5)13-15-6-8-16(9-7-15)20(3)4/h6-11,14H,12-13H2,1-5H3.
What are the key properties of 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 133424352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).