3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine

C23H34N4O3 — CID 23595048

IUPAC3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(OC)cc2CN2CCOCC2)nc1OC
InChIInChI=1S/C23H34N4O3/c1-6-18(7-2)25-22-23(29-5)26-21(16(3)24-22)20-9-8-19(28-4)14-17(20)15-27-10-12-30-13-11-27/h8-9,14,18H,6-7,10-13,15H2,1-5H3,(H,24,25)
InChIKeyWYQSYXDSPJCOCJ-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.90
Rot. Bonds9

About 3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine

3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 23595048) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID23595048
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(OC)cc2CN2CCOCC2)nc1OC
InChIInChI=1S/C23H34N4O3/c1-6-18(7-2)25-22-23(29-5)26-21(16(3)24-22)20-9-8-19(28-4)14-17(20)15-27-10-12-30-13-11-27/h8-9,14,18H,6-7,10-13,15H2,1-5H3,(H,24,25)
InChIKeyWYQSYXDSPJCOCJ-UHFFFAOYSA-N
XLogP3.90
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595047
N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine
CID 91530956
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
5-(2-chloro-4-ethoxyphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595016
4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine
CID 59874503
4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine
CID 86573409
N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide
CID 10477928
5-[2-chloro-4-(trifluoromethyl)phenyl]-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine
CID 10179338
3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 159209645
4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol
CID 43675654
4-[(2-ethyl-4-methoxyphenyl)methyl]-6,6-difluoro-1,4-oxazepane
CID 126813428
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809737

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 23595048) is 3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(-c2ccc(OC)cc2CN2CCOCC2)nc1OC.
What is the InChIKey of 3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is WYQSYXDSPJCOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-6-18(7-2)25-22-23(29-5)26-21(16(3)24-22)20-9-8-19(28-4)14-17(20)15-27-10-12-30-13-11-27/h8-9,14,18H,6-7,10-13,15H2,1-5H3,(H,24,25).
What are the key properties of 3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 414.55 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 23595048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).