3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine

C20H28N4O — CID 142247169

IUPAC3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC)cc2C)c(CC)nc1NN1CCCC1
InChIInChI=1S/C20H28N4O/c1-5-17-19(16-10-9-15(25-4)13-14(16)3)21-18(6-2)20(22-17)23-24-11-7-8-12-24/h9-10,13H,5-8,11-12H2,1-4H3,(H,22,23)
InChIKeyYXHGUCROKFPLHI-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.01
Rot. Bonds6

About 3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine

3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine (PubChem CID 142247169) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine.

Molecular Properties

Compound Name3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine
PubChem CID142247169
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC)cc2C)c(CC)nc1NN1CCCC1
InChIInChI=1S/C20H28N4O/c1-5-17-19(16-10-9-15(25-4)13-14(16)3)21-18(6-2)20(22-17)23-24-11-7-8-12-24/h9-10,13H,5-8,11-12H2,1-4H3,(H,22,23)
InChIKeyYXHGUCROKFPLHI-UHFFFAOYSA-N
XLogP4.01
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine?
The IUPAC name of 3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine (CID 142247169) is 3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine.
What is the SMILES notation for 3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine?
The canonical SMILES for 3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine is CCc1nc(-c2ccc(OC)cc2C)c(CC)nc1NN1CCCC1.
What is the InChIKey of 3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine?
The InChIKey is YXHGUCROKFPLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-17-19(16-10-9-15(25-4)13-14(16)3)21-18(6-2)20(22-17)23-24-11-7-8-12-24/h9-10,13H,5-8,11-12H2,1-4H3,(H,22,23).
What are the key properties of 3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine?
3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine has a molecular weight of 340.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine is sourced from PubChem (CID 142247169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).