(2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol

C11H17N5O — CID 80848904

IUPAC(2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1nc(N)cn2ccnc12
InChIInChI=1S/C11H17N5O/c1-7(2)8(6-17)14-10-11-13-3-4-16(11)5-9(12)15-10/h3-5,7-8,17H,6,12H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyJQCPJYWGXKNCJK-MRVPVSSYSA-N
MW235.29 g/mol
LogP0.74
Rot. Bonds4

About (2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol (PubChem CID 80848904) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol
PubChem CID80848904
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1nc(N)cn2ccnc12
InChIInChI=1S/C11H17N5O/c1-7(2)8(6-17)14-10-11-13-3-4-16(11)5-9(12)15-10/h3-5,7-8,17H,6,12H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyJQCPJYWGXKNCJK-MRVPVSSYSA-N
XLogP0.74
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

8-N-(1-methoxy-3-methylbutan-2-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80841305
8-N-(5-methylhexan-2-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80838339
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide
CID 80800872
8-N-(2-cyclopropylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113476564
8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80829250
3-[[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]hexan-1-ol
CID 106118645
methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate
CID 80776875
8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80807926
8-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 106390408
8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80841859
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol
CID 104557030
8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80848887

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol (CID 80848904) is (2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)Nc1nc(N)cn2ccnc12.
What is the InChIKey of (2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol?
The InChIKey is JQCPJYWGXKNCJK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7(2)8(6-17)14-10-11-13-3-4-16(11)5-9(12)15-10/h3-5,7-8,17H,6,12H2,1-2H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol has a molecular weight of 235.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80848904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).