5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine

C22H32ClN3 — CID 91513518

IUPAC5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCCc1cccc(-c2nc(CC)c(NC(CC)CC)nc2CC)c1Cl
InChIInChI=1S/C22H32ClN3/c1-6-12-15-13-11-14-17(20(15)23)21-18(9-4)26-22(19(10-5)25-21)24-16(7-2)8-3/h11,13-14,16H,6-10,12H2,1-5H3,(H,24,26)
InChIKeyZLNKBNDTJJSRNP-UHFFFAOYSA-N
MW373.97 g/mol
LogP6.47
Rot. Bonds9

About 5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine

5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 91513518) has the molecular formula C22H32ClN3 and a molecular weight of 373.97 g/mol. Its IUPAC name is 5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID91513518
Molecular FormulaC22H32ClN3
Molecular Weight373.97 g/mol
Exact Mass373.23
IUPAC Name5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCCc1cccc(-c2nc(CC)c(NC(CC)CC)nc2CC)c1Cl
InChIInChI=1S/C22H32ClN3/c1-6-12-15-13-11-14-17(20(15)23)21-18(9-4)26-22(19(10-5)25-21)24-16(7-2)8-3/h11,13-14,16H,6-10,12H2,1-5H3,(H,24,26)
InChIKeyZLNKBNDTJJSRNP-UHFFFAOYSA-N
XLogP6.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.97
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
CID 58804525
5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 22249149
5-(2,4-dichlorophenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23068426
3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
CID 58804334
5-(2-chloro-4-ethoxyphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595016
5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 10293015
3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine
CID 22278748
5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine
CID 10295937
5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595026
1-butyl-2-chloro-3-ethylbenzene
CID 139904751
2-chloro-1-methyl-3-propylbenzene;formaldehyde
CID 177230855
2-[[5-[3,6-diethyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-2,3-dihydro-1H-inden-1-yl]oxy]ethanethioamide
CID 22278763

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine (CID 91513518) is 5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine is CCCc1cccc(-c2nc(CC)c(NC(CC)CC)nc2CC)c1Cl.
What is the InChIKey of 5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is ZLNKBNDTJJSRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3/c1-6-12-15-13-11-14-17(20(15)23)21-18(9-4)26-22(19(10-5)25-21)24-16(7-2)8-3/h11,13-14,16H,6-10,12H2,1-5H3,(H,24,26).
What are the key properties of 5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 373.97 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-propylphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 91513518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).