N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine

C16H19N5 — CID 68819049

IUPACN,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine
SMILESC[C@@H](c1ccccc1)n1cnc2ncc(CN(C)C)nc21
InChIInChI=1S/C16H19N5/c1-12(13-7-5-4-6-8-13)21-11-18-15-16(21)19-14(9-17-15)10-20(2)3/h4-9,11-12H,10H2,1-3H3/t12-/m0/s1
InChIKeyDKHYJTICGANWIE-LBPRGKRZSA-N
MW281.36 g/mol
LogP2.50
Rot. Bonds4

About N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine

N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine (PubChem CID 68819049) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine
PubChem CID68819049
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine
SMILESC[C@@H](c1ccccc1)n1cnc2ncc(CN(C)C)nc21
InChIInChI=1S/C16H19N5/c1-12(13-7-5-4-6-8-13)21-11-18-15-16(21)19-14(9-17-15)10-20(2)3/h4-9,11-12H,10H2,1-3H3/t12-/m0/s1
InChIKeyDKHYJTICGANWIE-LBPRGKRZSA-N
XLogP2.50
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine (CID 68819049) is N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine is C[C@@H](c1ccccc1)n1cnc2ncc(CN(C)C)nc21.
What is the InChIKey of N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine?
The InChIKey is DKHYJTICGANWIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5/c1-12(13-7-5-4-6-8-13)21-11-18-15-16(21)19-14(9-17-15)10-20(2)3/h4-9,11-12H,10H2,1-3H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine?
N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine is sourced from PubChem (CID 68819049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).