1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine

C14H16IN3O2 — CID 105031250

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1ncc(OC)nc1OC
InChIInChI=1S/C14H16IN3O2/c1-16-12(9-5-4-6-10(15)7-9)13-14(20-3)18-11(19-2)8-17-13/h4-8,12,16H,1-3H3
InChIKeyPTXYYDHZOOZNSZ-UHFFFAOYSA-N
MW385.21 g/mol
LogP2.41
Rot. Bonds5

About 1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine

1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine (PubChem CID 105031250) has the molecular formula C14H16IN3O2 and a molecular weight of 385.21 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine
PubChem CID105031250
Molecular FormulaC14H16IN3O2
Molecular Weight385.21 g/mol
Exact Mass385.03
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1ncc(OC)nc1OC
InChIInChI=1S/C14H16IN3O2/c1-16-12(9-5-4-6-10(15)7-9)13-14(20-3)18-11(19-2)8-17-13/h4-8,12,16H,1-3H3
InChIKeyPTXYYDHZOOZNSZ-UHFFFAOYSA-N
XLogP2.41
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755786
[(3,5-dimethoxypyrazin-2-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105332206
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 105178345
1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105030961
1-(3-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515256
1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105031379
1-(2,4-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 107946646
1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105178350
1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483638
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105178221
1-(3-methoxypyrazin-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104515510
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105178281

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine (CID 105031250) is 1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine is CNC(c1cccc(I)c1)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine?
The InChIKey is PTXYYDHZOOZNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O2/c1-16-12(9-5-4-6-10(15)7-9)13-14(20-3)18-11(19-2)8-17-13/h4-8,12,16H,1-3H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine?
1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine has a molecular weight of 385.21 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 105031250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).