N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine

C16H28N4O — CID 63025503

IUPACN-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(CN2CCn3ccnc3C2)O1
InChIInChI=1S/C16H28N4O/c1-13(2)9-17-10-14-3-4-15(21-14)11-19-7-8-20-6-5-18-16(20)12-19/h5-6,13-15,17H,3-4,7-12H2,1-2H3
InChIKeyXHISFYJYXLRDSL-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.49
Rot. Bonds6

About N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63025503) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID63025503
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(CN2CCn3ccnc3C2)O1
InChIInChI=1S/C16H28N4O/c1-13(2)9-17-10-14-3-4-15(21-14)11-19-7-8-20-6-5-18-16(20)12-19/h5-6,13-15,17H,3-4,7-12H2,1-2H3
InChIKeyXHISFYJYXLRDSL-UHFFFAOYSA-N
XLogP1.49
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine (CID 63025503) is N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC(CN2CCn3ccnc3C2)O1.
What is the InChIKey of N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XHISFYJYXLRDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)9-17-10-14-3-4-15(21-14)11-19-7-8-20-6-5-18-16(20)12-19/h5-6,13-15,17H,3-4,7-12H2,1-2H3.
What are the key properties of N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63025503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).