methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate

C14H21N5O2 — CID 80791121

IUPACmethyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate
SMILESCCNc1cn2ccnc2c(NC(C(=O)OC)C(C)C)n1
InChIInChI=1S/C14H21N5O2/c1-5-15-10-8-19-7-6-16-13(19)12(17-10)18-11(9(2)3)14(20)21-4/h6-9,11,15H,5H2,1-4H3,(H,17,18)
InChIKeyRHNIUYRNNQJCEJ-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.77
Rot. Bonds6

About methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate

methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate (PubChem CID 80791121) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate
PubChem CID80791121
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Namemethyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate
SMILESCCNc1cn2ccnc2c(NC(C(=O)OC)C(C)C)n1
InChIInChI=1S/C14H21N5O2/c1-5-15-10-8-19-7-6-16-13(19)12(17-10)18-11(9(2)3)14(20)21-4/h6-9,11,15H,5H2,1-4H3,(H,17,18)
InChIKeyRHNIUYRNNQJCEJ-UHFFFAOYSA-N
XLogP1.77
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate with MolForge

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Related Compounds

2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylpropanamide
CID 80803281
N-ethyl-2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylpropanamide
CID 103113992
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate
CID 80777733
8-N-(1-cyclopropylethyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80782305
methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate
CID 80885709
6-N-ethyl-8-N-(2-methoxy-2-methylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 104767303
N-ethyl-8-propan-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80885373
8-N-(2-methylpentan-3-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80802760
N-ethyl-8-(2-methylpropoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80860201
N-ethyl-8-(4-methylpentoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80862180
N-ethyl-8-(4-methylpentan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine
CID 80859899
6-hydrazinyl-N-(4-methoxybutan-2-yl)imidazo[1,2-a]pyrazin-8-amine
CID 80915322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate (CID 80791121) is methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate is CCNc1cn2ccnc2c(NC(C(=O)OC)C(C)C)n1.
What is the InChIKey of methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate?
The InChIKey is RHNIUYRNNQJCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-5-15-10-8-19-7-6-16-13(19)12(17-10)18-11(9(2)3)14(20)21-4/h6-9,11,15H,5H2,1-4H3,(H,17,18).
What are the key properties of methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate?
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate has a molecular weight of 291.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate is sourced from PubChem (CID 80791121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).