2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine

C13H16N6O — CID 121351502

IUPAC2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine
SMILESCc1cnc(CN2C=C(N)N=C(c3ncco3)C2C)[nH]1
InChIInChI=1S/C13H16N6O/c1-8-5-16-11(17-8)7-19-6-10(14)18-12(9(19)2)13-15-3-4-20-13/h3-6,9H,7,14H2,1-2H3,(H,16,17)
InChIKeyWQHOFODMUYVTKP-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.16
Rot. Bonds3

About 2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine

2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine (PubChem CID 121351502) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine
PubChem CID121351502
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine
SMILESCc1cnc(CN2C=C(N)N=C(c3ncco3)C2C)[nH]1
InChIInChI=1S/C13H16N6O/c1-8-5-16-11(17-8)7-19-6-10(14)18-12(9(19)2)13-15-3-4-20-13/h3-6,9H,7,14H2,1-2H3,(H,16,17)
InChIKeyWQHOFODMUYVTKP-UHFFFAOYSA-N
XLogP1.16
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine?
The IUPAC name of 2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine (CID 121351502) is 2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine.
What is the SMILES notation for 2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine?
The canonical SMILES for 2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine is Cc1cnc(CN2C=C(N)N=C(c3ncco3)C2C)[nH]1.
What is the InChIKey of 2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine?
The InChIKey is WQHOFODMUYVTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-8-5-16-11(17-8)7-19-6-10(14)18-12(9(19)2)13-15-3-4-20-13/h3-6,9H,7,14H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine?
2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine has a molecular weight of 272.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine is sourced from PubChem (CID 121351502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).