5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine

C18H23Cl2N3O — CID 22249149

IUPAC5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H23Cl2N3O/c1-5-12(6-2)21-17-18(24-4)23-16(15(7-3)22-17)13-9-8-11(19)10-14(13)20/h8-10,12H,5-7H2,1-4H3,(H,21,22)
InChIKeyPZLAKBFDXDARMB-UHFFFAOYSA-N
MW368.31 g/mol
LogP5.62
Rot. Bonds7

About 5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine

5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22249149) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
PubChem CID22249149
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H23Cl2N3O/c1-5-12(6-2)21-17-18(24-4)23-16(15(7-3)22-17)13-9-8-11(19)10-14(13)20/h8-10,12H,5-7H2,1-4H3,(H,21,22)
InChIKeyPZLAKBFDXDARMB-UHFFFAOYSA-N
XLogP5.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.31
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dichlorophenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23068426
5-(2-chloro-4-ethoxyphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595016
5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595026
5-[2-chloro-4-(trifluoromethyl)phenyl]-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine
CID 10179338
5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 10293015
5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23068437
3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 58804350
5-[2-[2-chloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-methyl-N-pentan-3-ylpyrazin-2-amine
CID 22248877
5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine
CID 53310410
3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 159209645
5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
CID 10127588
3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595046

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine (CID 22249149) is 5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine is CCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is PZLAKBFDXDARMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O/c1-5-12(6-2)21-17-18(24-4)23-16(15(7-3)22-17)13-9-8-11(19)10-14(13)20/h8-10,12H,5-7H2,1-4H3,(H,21,22).
What are the key properties of 5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 368.31 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22249149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).