3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine

C21H31N3O2 — CID 159209645

IUPAC3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC)cc2C)c(CC)nc1NC(CC)COC
InChIInChI=1S/C21H31N3O2/c1-7-15(13-25-5)22-21-19(9-3)23-20(18(8-2)24-21)17-11-10-16(26-6)12-14(17)4/h10-12,15H,7-9,13H2,1-6H3,(H,22,24)
InChIKeyKQIFQVLJGWSPGO-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.42
Rot. Bonds9

About 3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine

3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine (PubChem CID 159209645) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
PubChem CID159209645
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC)cc2C)c(CC)nc1NC(CC)COC
InChIInChI=1S/C21H31N3O2/c1-7-15(13-25-5)22-21-19(9-3)23-20(18(8-2)24-21)17-11-10-16(26-6)12-14(17)4/h10-12,15H,7-9,13H2,1-6H3,(H,22,24)
InChIKeyKQIFQVLJGWSPGO-UHFFFAOYSA-N
XLogP4.42
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine?
The IUPAC name of 3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine (CID 159209645) is 3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine?
The canonical SMILES for 3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine is CCc1nc(-c2ccc(OC)cc2C)c(CC)nc1NC(CC)COC.
What is the InChIKey of 3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine?
The InChIKey is KQIFQVLJGWSPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-7-15(13-25-5)22-21-19(9-3)23-20(18(8-2)24-21)17-11-10-16(26-6)12-14(17)4/h10-12,15H,7-9,13H2,1-6H3,(H,22,24).
What are the key properties of 3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine?
3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine has a molecular weight of 357.50 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine is sourced from PubChem (CID 159209645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).