6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine

C21H25N5O — CID 11268500

IUPAC6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine
SMILESCCCC(Nc1cncc(-c2ccc(CN)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C21H25N5O/c1-3-5-18(17-6-4-9-23-12-17)25-21-14-24-13-19(26-21)15-7-8-16(11-22)20(10-15)27-2/h4,6-10,12-14,18H,3,5,11,22H2,1-2H3,(H,25,26)
InChIKeyIMINHDHASJGIQT-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.96
Rot. Bonds8

About 6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine

6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine (PubChem CID 11268500) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine
PubChem CID11268500
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine
SMILESCCCC(Nc1cncc(-c2ccc(CN)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C21H25N5O/c1-3-5-18(17-6-4-9-23-12-17)25-21-14-24-13-19(26-21)15-7-8-16(11-22)20(10-15)27-2/h4,6-10,12-14,18H,3,5,11,22H2,1-2H3,(H,25,26)
InChIKeyIMINHDHASJGIQT-UHFFFAOYSA-N
XLogP3.96
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine?
The IUPAC name of 6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine (CID 11268500) is 6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine.
What is the SMILES notation for 6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine?
The canonical SMILES for 6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine is CCCC(Nc1cncc(-c2ccc(CN)c(OC)c2)n1)c1cccnc1.
What is the InChIKey of 6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine?
The InChIKey is IMINHDHASJGIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-5-18(17-6-4-9-23-12-17)25-21-14-24-13-19(26-21)15-7-8-16(11-22)20(10-15)27-2/h4,6-10,12-14,18H,3,5,11,22H2,1-2H3,(H,25,26).
What are the key properties of 6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine?
6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-3-methoxyphenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine is sourced from PubChem (CID 11268500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).