N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine

C16H22N4 — CID 63026595

IUPACN-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCn3ccnc3C2)c(C)c1
InChIInChI=1S/C16H22N4/c1-3-17-11-14-4-5-15(13(2)10-14)20-9-8-19-7-6-18-16(19)12-20/h4-7,10,17H,3,8-9,11-12H2,1-2H3
InChIKeyBJVNJLQAAVXDEB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.32
Rot. Bonds4

About N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine

N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine (PubChem CID 63026595) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine
PubChem CID63026595
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCn3ccnc3C2)c(C)c1
InChIInChI=1S/C16H22N4/c1-3-17-11-14-4-5-15(13(2)10-14)20-9-8-19-7-6-18-16(19)12-20/h4-7,10,17H,3,8-9,11-12H2,1-2H3
InChIKeyBJVNJLQAAVXDEB-UHFFFAOYSA-N
XLogP2.32
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63077696
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide
CID 55149598
N-[[4-(4-butan-2-ylpiperazin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62775219
N-[[3-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine
CID 63026350
N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine
CID 64575732
N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine
CID 62120512
1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine
CID 81166753
N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62120152
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]ethanamine
CID 55143655
N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine
CID 102744803
1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol
CID 102960877
1-[2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]-N-methylmethanamine
CID 63024711

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine (CID 63026595) is N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine is CCNCc1ccc(N2CCn3ccnc3C2)c(C)c1.
What is the InChIKey of N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine?
The InChIKey is BJVNJLQAAVXDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-17-11-14-4-5-15(13(2)10-14)20-9-8-19-7-6-18-16(19)12-20/h4-7,10,17H,3,8-9,11-12H2,1-2H3.
What are the key properties of N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine?
N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 63026595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).