1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine

C16H20N6O — CID 121351350

IUPAC1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine
SMILESCC1=C(c2ncco2)N=C(N)CN1Cc1nccn1C1CCC1
InChIInChI=1S/C16H20N6O/c1-11-15(16-19-6-8-23-16)20-13(17)9-21(11)10-14-18-5-7-22(14)12-3-2-4-12/h5-8,12H,2-4,9-10H2,1H3,(H2,17,20)
InChIKeyOAKDOKDZZDLVGS-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.16
Rot. Bonds4

About 1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine

1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine (PubChem CID 121351350) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine.

Molecular Properties

Compound Name1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine
PubChem CID121351350
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine
SMILESCC1=C(c2ncco2)N=C(N)CN1Cc1nccn1C1CCC1
InChIInChI=1S/C16H20N6O/c1-11-15(16-19-6-8-23-16)20-13(17)9-21(11)10-14-18-5-7-22(14)12-3-2-4-12/h5-8,12H,2-4,9-10H2,1H3,(H2,17,20)
InChIKeyOAKDOKDZZDLVGS-UHFFFAOYSA-N
XLogP2.16
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine?
The IUPAC name of 1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine (CID 121351350) is 1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine.
What is the SMILES notation for 1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine?
The canonical SMILES for 1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine is CC1=C(c2ncco2)N=C(N)CN1Cc1nccn1C1CCC1.
What is the InChIKey of 1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine?
The InChIKey is OAKDOKDZZDLVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11-15(16-19-6-8-23-16)20-13(17)9-21(11)10-14-18-5-7-22(14)12-3-2-4-12/h5-8,12H,2-4,9-10H2,1H3,(H2,17,20).
What are the key properties of 1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine?
1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine has a molecular weight of 312.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclobutylimidazol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)-2H-pyrazin-3-amine is sourced from PubChem (CID 121351350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).