5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine

C20H29ClN4 — CID 10292042

IUPAC5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine
SMILESCCc1nc(-c2ccc(N(C)C)cc2Cl)c(CC)nc1NCC(C)C
InChIInChI=1S/C20H29ClN4/c1-7-17-19(15-10-9-14(25(5)6)11-16(15)21)23-18(8-2)20(24-17)22-12-13(3)4/h9-11,13H,7-8,12H2,1-6H3,(H,22,24)
InChIKeyPEMJULLVJZGTSK-UHFFFAOYSA-N
MW360.93 g/mol
LogP5.06
Rot. Bonds7

About 5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine

5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine (PubChem CID 10292042) has the molecular formula C20H29ClN4 and a molecular weight of 360.93 g/mol. Its IUPAC name is 5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine
PubChem CID10292042
Molecular FormulaC20H29ClN4
Molecular Weight360.93 g/mol
Exact Mass360.21
IUPAC Name5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine
SMILESCCc1nc(-c2ccc(N(C)C)cc2Cl)c(CC)nc1NCC(C)C
InChIInChI=1S/C20H29ClN4/c1-7-17-19(15-10-9-14(25(5)6)11-16(15)21)23-18(8-2)20(24-17)22-12-13(3)4/h9-11,13H,7-8,12H2,1-6H3,(H,22,24)
InChIKeyPEMJULLVJZGTSK-UHFFFAOYSA-N
XLogP5.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.93
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine?
The IUPAC name of 5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine (CID 10292042) is 5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine.
What is the SMILES notation for 5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine?
The canonical SMILES for 5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine is CCc1nc(-c2ccc(N(C)C)cc2Cl)c(CC)nc1NCC(C)C.
What is the InChIKey of 5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine?
The InChIKey is PEMJULLVJZGTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4/c1-7-17-19(15-10-9-14(25(5)6)11-16(15)21)23-18(8-2)20(24-17)22-12-13(3)4/h9-11,13H,7-8,12H2,1-6H3,(H,22,24).
What are the key properties of 5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine?
5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine has a molecular weight of 360.93 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-(dimethylamino)phenyl]-3,6-diethyl-N-(2-methylpropyl)pyrazin-2-amine is sourced from PubChem (CID 10292042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).