3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one

C13H24N4O — CID 66089767

IUPAC3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC(C)CCN)c1=O
InChIInChI=1S/C13H24N4O/c1-10(2)9-17-7-6-15-12(13(17)18)16-8-11(3)4-5-14/h6-7,10-11H,4-5,8-9,14H2,1-3H3,(H,15,16)
InChIKeyZISAUVURKKPKRW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.30
Rot. Bonds7

About 3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one

3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 66089767) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID66089767
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC(C)CCN)c1=O
InChIInChI=1S/C13H24N4O/c1-10(2)9-17-7-6-15-12(13(17)18)16-8-11(3)4-5-14/h6-7,10-11H,4-5,8-9,14H2,1-3H3,(H,15,16)
InChIKeyZISAUVURKKPKRW-UHFFFAOYSA-N
XLogP1.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 113282618
3-[(3-chloro-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 65037499
3-[(3-methoxy-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62929149
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214
3-[[1-(aminomethyl)cyclopropyl]methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 113313728
3-[[2-(dimethylamino)-2-methylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156417
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 115303205
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 66089767) is 3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCC(C)CCN)c1=O.
What is the InChIKey of 3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is ZISAUVURKKPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)9-17-7-6-15-12(13(17)18)16-8-11(3)4-5-14/h6-7,10-11H,4-5,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 66089767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).