1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one

C13H23N3O2 — CID 64604064

IUPAC1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one
SMILESCOCCC(C)Nc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-10(6-9-18-5)15-11-12(17)16(8-7-14-11)13(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,14,15)
InChIKeyFNVRBSLRKCPPLR-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.84
Rot. Bonds5

About 1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one

1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one (PubChem CID 64604064) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one
PubChem CID64604064
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one
SMILESCOCCC(C)Nc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-10(6-9-18-5)15-11-12(17)16(8-7-14-11)13(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,14,15)
InChIKeyFNVRBSLRKCPPLR-UHFFFAOYSA-N
XLogP1.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
CID 62938769
1-tert-butyl-3-[(4-chloro-1-methoxybutan-2-yl)amino]pyrazin-2-one
CID 114150934
1-tert-butyl-3-[(2-chloro-3-methoxypropyl)amino]pyrazin-2-one
CID 65027121
1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one
CID 62928104
1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one
CID 62940206
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-ethyl-N-methylpropanamide
CID 103111313
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
CID 62938610
3-[(1-chloro-4-methoxybutan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 114211784
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
CID 62939618
1-tert-butyl-3-[1-(4-chlorophenyl)ethylamino]pyrazin-2-one
CID 62940764
N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731643
N-(4-methoxybutan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731642

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one (CID 64604064) is 1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one is COCCC(C)Nc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one?
The InChIKey is FNVRBSLRKCPPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(6-9-18-5)15-11-12(17)16(8-7-14-11)13(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,14,15).
What are the key properties of 1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one?
1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one has a molecular weight of 253.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 64604064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).