3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one

C14H25N3O2 — CID 106185827

IUPAC3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC(C)(C)C(C)(C)O)c1=O
InChIInChI=1S/C14H25N3O2/c1-10(2)9-17-8-7-15-11(12(17)18)16-13(3,4)14(5,6)19/h7-8,10,19H,9H2,1-6H3,(H,15,16)
InChIKeyRUDXHBIHKGYNGC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.86
Rot. Bonds5

About 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one

3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 106185827) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID106185827
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC(C)(C)C(C)(C)O)c1=O
InChIInChI=1S/C14H25N3O2/c1-10(2)9-17-8-7-15-11(12(17)18)16-13(3,4)14(5,6)19/h7-8,10,19H,9H2,1-6H3,(H,15,16)
InChIKeyRUDXHBIHKGYNGC-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 107866306
3-[[2-(dimethylamino)-2-methylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156417
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
3-[[1-(aminomethyl)cyclopropyl]methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 113313728
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 115883760
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
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
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939654

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 106185827) is 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NC(C)(C)C(C)(C)O)c1=O.
What is the InChIKey of 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is RUDXHBIHKGYNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)9-17-8-7-15-11(12(17)18)16-13(3,4)14(5,6)19/h7-8,10,19H,9H2,1-6H3,(H,15,16).
What are the key properties of 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 267.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 106185827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).