3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine

C18H21N5O — CID 110113025

IUPAC3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine
SMILESCNc1nccnc1C1CN(Cc2cccc3[nH]ccc23)CCO1
InChIInChI=1S/C18H21N5O/c1-19-18-17(21-7-8-22-18)16-12-23(9-10-24-16)11-13-3-2-4-15-14(13)5-6-20-15/h2-8,16,20H,9-12H2,1H3,(H,19,22)
InChIKeyGVFDJIDOYYNYEV-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.57
Rot. Bonds4

About 3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine

3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine (PubChem CID 110113025) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine
PubChem CID110113025
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine
SMILESCNc1nccnc1C1CN(Cc2cccc3[nH]ccc23)CCO1
InChIInChI=1S/C18H21N5O/c1-19-18-17(21-7-8-22-18)16-12-23(9-10-24-16)11-13-3-2-4-15-14(13)5-6-20-15/h2-8,16,20H,9-12H2,1H3,(H,19,22)
InChIKeyGVFDJIDOYYNYEV-UHFFFAOYSA-N
XLogP2.57
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine?
The IUPAC name of 3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine (CID 110113025) is 3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine?
The canonical SMILES for 3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine is CNc1nccnc1C1CN(Cc2cccc3[nH]ccc23)CCO1.
What is the InChIKey of 3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine?
The InChIKey is GVFDJIDOYYNYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-19-18-17(21-7-8-22-18)16-12-23(9-10-24-16)11-13-3-2-4-15-14(13)5-6-20-15/h2-8,16,20H,9-12H2,1H3,(H,19,22).
What are the key properties of 3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine?
3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 110113025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).