8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine

C14H18N6O — CID 80836295

IUPAC8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NC(C)c2c(C)noc2C)n1
InChIInChI=1S/C14H18N6O/c1-8(12-9(2)19-21-10(12)3)17-13-14-16-5-6-20(14)7-11(15-4)18-13/h5-8,15H,1-4H3,(H,17,18)
InChIKeyKYMTVQIBEDVELO-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.55
Rot. Bonds4

About 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine

8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80836295) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80836295
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NC(C)c2c(C)noc2C)n1
InChIInChI=1S/C14H18N6O/c1-8(12-9(2)19-21-10(12)3)17-13-14-16-5-6-20(14)7-11(15-4)18-13/h5-8,15H,1-4H3,(H,17,18)
InChIKeyKYMTVQIBEDVELO-UHFFFAOYSA-N
XLogP2.55
TPSA80.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine (CID 80836295) is 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine is CNc1cn2ccnc2c(NC(C)c2c(C)noc2C)n1.
What is the InChIKey of 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is KYMTVQIBEDVELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-8(12-9(2)19-21-10(12)3)17-13-14-16-5-6-20(14)7-11(15-4)18-13/h5-8,15H,1-4H3,(H,17,18).
What are the key properties of 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine?
8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 286.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80836295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).