2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine

C17H20Cl2N2 — CID 90838020

IUPAC2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine
SMILESCCC(CC)c1nc(C)c(-c2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C17H20Cl2N2/c1-5-12(6-2)16-10(3)21-17(11(4)20-16)14-8-7-13(18)9-15(14)19/h7-9,12H,5-6H2,1-4H3
InChIKeyVNZRDGUKIVZCEF-UHFFFAOYSA-N
MW323.27 g/mol
LogP5.97
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine

2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine (PubChem CID 90838020) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine
PubChem CID90838020
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine
SMILESCCC(CC)c1nc(C)c(-c2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C17H20Cl2N2/c1-5-12(6-2)16-10(3)21-17(11(4)20-16)14-8-7-13(18)9-15(14)19/h7-9,12H,5-6H2,1-4H3
InChIKeyVNZRDGUKIVZCEF-UHFFFAOYSA-N
XLogP5.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.27
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23068437
ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate
CID 22248982
4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 43158669
2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine
CID 46177844
2-(2,4-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 170837737
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine
CID 22147446
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
4-(2,4-dichlorophenyl)-5-ethyl-1,3-thiazol-2-amine
CID 28864557
6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine
CID 133088206

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine (CID 90838020) is 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine is CCC(CC)c1nc(C)c(-c2ccc(Cl)cc2Cl)nc1C.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine?
The InChIKey is VNZRDGUKIVZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-5-12(6-2)16-10(3)21-17(11(4)20-16)14-8-7-13(18)9-15(14)19/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine?
2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine has a molecular weight of 323.27 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine is sourced from PubChem (CID 90838020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).