2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol

C10H15N5O — CID 104557030

IUPAC2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1nc(N)cn2ccnc12
InChIInChI=1S/C10H15N5O/c1-7(6-16)14(2)10-9-12-3-4-15(9)5-8(11)13-10/h3-5,7,16H,6,11H2,1-2H3
InChIKeyXMMDFIFVPQSOIO-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.13
Rot. Bonds3

About 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol

2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol (PubChem CID 104557030) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol
PubChem CID104557030
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1nc(N)cn2ccnc12
InChIInChI=1S/C10H15N5O/c1-7(6-16)14(2)10-9-12-3-4-15(9)5-8(11)13-10/h3-5,7,16H,6,11H2,1-2H3
InChIKeyXMMDFIFVPQSOIO-UHFFFAOYSA-N
XLogP0.13
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol (CID 104557030) is 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol is CC(CO)N(C)c1nc(N)cn2ccnc12.
What is the InChIKey of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol?
The InChIKey is XMMDFIFVPQSOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7(6-16)14(2)10-9-12-3-4-15(9)5-8(11)13-10/h3-5,7,16H,6,11H2,1-2H3.
What are the key properties of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol?
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol has a molecular weight of 221.26 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 104557030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).