1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine

C14H18N6O — CID 121351478

IUPAC1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine
SMILESCc1cn(C)c(CN2C=C(N)N=C(c3ncco3)C2C)n1
InChIInChI=1S/C14H18N6O/c1-9-6-19(3)12(17-9)8-20-7-11(15)18-13(10(20)2)14-16-4-5-21-14/h4-7,10H,8,15H2,1-3H3
InChIKeyMRMYEHWYEYQMQD-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.17
Rot. Bonds3

About 1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine

1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine (PubChem CID 121351478) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine.

Molecular Properties

Compound Name1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine
PubChem CID121351478
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine
SMILESCc1cn(C)c(CN2C=C(N)N=C(c3ncco3)C2C)n1
InChIInChI=1S/C14H18N6O/c1-9-6-19(3)12(17-9)8-20-7-11(15)18-13(10(20)2)14-16-4-5-21-14/h4-7,10H,8,15H2,1-3H3
InChIKeyMRMYEHWYEYQMQD-UHFFFAOYSA-N
XLogP1.17
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine?
The IUPAC name of 1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine (CID 121351478) is 1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine.
What is the SMILES notation for 1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine?
The canonical SMILES for 1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine is Cc1cn(C)c(CN2C=C(N)N=C(c3ncco3)C2C)n1.
What is the InChIKey of 1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine?
The InChIKey is MRMYEHWYEYQMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-9-6-19(3)12(17-9)8-20-7-11(15)18-13(10(20)2)14-16-4-5-21-14/h4-7,10H,8,15H2,1-3H3.
What are the key properties of 1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine?
1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine has a molecular weight of 286.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylimidazol-2-yl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine is sourced from PubChem (CID 121351478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).