4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol

C11H17N5O — CID 80841693

IUPAC4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
SMILESCNc1cn2ccnc2c(NCCC(C)O)n1
InChIInChI=1S/C11H17N5O/c1-8(17)3-4-13-10-11-14-5-6-16(11)7-9(12-2)15-10/h5-8,12,17H,3-4H2,1-2H3,(H,13,15)
InChIKeyBLBBKPDUEWZVJL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.95
Rot. Bonds5

About 4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol

4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol (PubChem CID 80841693) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
PubChem CID80841693
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
SMILESCNc1cn2ccnc2c(NCCC(C)O)n1
InChIInChI=1S/C11H17N5O/c1-8(17)3-4-13-10-11-14-5-6-16(11)7-9(12-2)15-10/h5-8,12,17H,3-4H2,1-2H3,(H,13,15)
InChIKeyBLBBKPDUEWZVJL-UHFFFAOYSA-N
XLogP0.95
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pentanamide
CID 106241711
6-N-methyl-8-N-(2,3,3-trimethylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 83147491
6-N-methyl-8-N-(4-propan-2-yloxybutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 106014703
6-N-methyl-8-N-(2-methylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80832137
8-N-(2,2-dimethylpropyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80798027
6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113488442
2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol
CID 106311573
N-methyl-2-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetamide
CID 80784270
6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 106434075
ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate
CID 80816137
6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80852584
8-N-tert-butyl-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80768283

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol?
The IUPAC name of 4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol (CID 80841693) is 4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol?
The canonical SMILES for 4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol is CNc1cn2ccnc2c(NCCC(C)O)n1.
What is the InChIKey of 4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol?
The InChIKey is BLBBKPDUEWZVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8(17)3-4-13-10-11-14-5-6-16(11)7-9(12-2)15-10/h5-8,12,17H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol?
4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol has a molecular weight of 235.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol is sourced from PubChem (CID 80841693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).