3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine

C17H21N5 — CID 3043533

IUPAC3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine
SMILESCc1nc2nc(NC(C)Cc3ccccc3)n(C)c2nc1C
InChIInChI=1S/C17H21N5/c1-11(10-14-8-6-5-7-9-14)18-17-21-15-16(22(17)4)20-13(3)12(2)19-15/h5-9,11H,10H2,1-4H3,(H,18,19,21)
InChIKeyBVPNGRWZUQFJQY-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.02
Rot. Bonds4

About 3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine

3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine (PubChem CID 3043533) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine.

Molecular Properties

Compound Name3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine
PubChem CID3043533
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine
SMILESCc1nc2nc(NC(C)Cc3ccccc3)n(C)c2nc1C
InChIInChI=1S/C17H21N5/c1-11(10-14-8-6-5-7-9-14)18-17-21-15-16(22(17)4)20-13(3)12(2)19-15/h5-9,11H,10H2,1-4H3,(H,18,19,21)
InChIKeyBVPNGRWZUQFJQY-UHFFFAOYSA-N
XLogP3.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine?
The IUPAC name of 3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine (CID 3043533) is 3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine.
What is the SMILES notation for 3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine?
The canonical SMILES for 3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine is Cc1nc2nc(NC(C)Cc3ccccc3)n(C)c2nc1C.
What is the InChIKey of 3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine?
The InChIKey is BVPNGRWZUQFJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-11(10-14-8-6-5-7-9-14)18-17-21-15-16(22(17)4)20-13(3)12(2)19-15/h5-9,11H,10H2,1-4H3,(H,18,19,21).
What are the key properties of 3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine?
3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine is sourced from PubChem (CID 3043533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).