5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine

C20H26ClN3O3 — CID 10194159

IUPAC5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC)cc2Cl)c(CC)nc1NC1COCC1OC
InChIInChI=1S/C20H26ClN3O3/c1-5-15-19(13-8-7-12(25-3)9-14(13)21)22-16(6-2)20(23-15)24-17-10-27-11-18(17)26-4/h7-9,17-18H,5-6,10-11H2,1-4H3,(H,23,24)
InChIKeyAEWIAGVGALXYIO-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.76
Rot. Bonds7

About 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine

5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine (PubChem CID 10194159) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine
PubChem CID10194159
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC)cc2Cl)c(CC)nc1NC1COCC1OC
InChIInChI=1S/C20H26ClN3O3/c1-5-15-19(13-8-7-12(25-3)9-14(13)21)22-16(6-2)20(23-15)24-17-10-27-11-18(17)26-4/h7-9,17-18H,5-6,10-11H2,1-4H3,(H,23,24)
InChIKeyAEWIAGVGALXYIO-UHFFFAOYSA-N
XLogP3.76
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine (CID 10194159) is 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine is CCc1nc(-c2ccc(OC)cc2Cl)c(CC)nc1NC1COCC1OC.
What is the InChIKey of 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine?
The InChIKey is AEWIAGVGALXYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-5-15-19(13-8-7-12(25-3)9-14(13)21)22-16(6-2)20(23-15)24-17-10-27-11-18(17)26-4/h7-9,17-18H,5-6,10-11H2,1-4H3,(H,23,24).
What are the key properties of 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine?
5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine has a molecular weight of 391.90 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-N-(4-methoxyoxolan-3-yl)pyrazin-2-amine is sourced from PubChem (CID 10194159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).