3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one

C14H20N4O2 — CID 103888457

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCc1nc(CNc2nccn(CC(C)C)c2=O)oc1C
InChIInChI=1S/C14H20N4O2/c1-9(2)8-18-6-5-15-13(14(18)19)16-7-12-17-10(3)11(4)20-12/h5-6,9H,7-8H2,1-4H3,(H,15,16)
InChIKeyGFCQWNYJWDICGQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.12
Rot. Bonds5

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 103888457) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID103888457
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCc1nc(CNc2nccn(CC(C)C)c2=O)oc1C
InChIInChI=1S/C14H20N4O2/c1-9(2)8-18-6-5-15-13(14(18)19)16-7-12-17-10(3)11(4)20-12/h5-6,9H,7-8H2,1-4H3,(H,15,16)
InChIKeyGFCQWNYJWDICGQ-UHFFFAOYSA-N
XLogP2.12
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938286
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
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-[(3-chloro-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 65037499
3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 113282618
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106185827
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939708

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 103888457) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one is Cc1nc(CNc2nccn(CC(C)C)c2=O)oc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is GFCQWNYJWDICGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)8-18-6-5-15-13(14(18)19)16-7-12-17-10(3)11(4)20-12/h5-6,9H,7-8H2,1-4H3,(H,15,16).
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 103888457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).