N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine

C21H26Cl2N4 — CID 22024605

IUPACN-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine
SMILESCCCN(c1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccn12)C(C)CC
InChIInChI=1S/C21H26Cl2N4/c1-5-11-26(14(4)6-2)21-18(7-3)25-20-19(24-10-12-27(20)21)16-9-8-15(22)13-17(16)23/h8-10,12-14H,5-7,11H2,1-4H3
InChIKeyZIHAEZCEAYDKFY-UHFFFAOYSA-N
MW405.37 g/mol
LogP6.28
Rot. Bonds7

About N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine

N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine (PubChem CID 22024605) has the molecular formula C21H26Cl2N4 and a molecular weight of 405.37 g/mol. Its IUPAC name is N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine
PubChem CID22024605
Molecular FormulaC21H26Cl2N4
Molecular Weight405.37 g/mol
Exact Mass404.15
IUPAC NameN-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine
SMILESCCCN(c1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccn12)C(C)CC
InChIInChI=1S/C21H26Cl2N4/c1-5-11-26(14(4)6-2)21-18(7-3)25-20-19(24-10-12-27(20)21)16-9-8-15(22)13-17(16)23/h8-10,12-14H,5-7,11H2,1-4H3
InChIKeyZIHAEZCEAYDKFY-UHFFFAOYSA-N
XLogP6.28
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,4-dichlorophenyl)-2-ethyl-N-(3-methylbutyl)-N-pentylimidazo[1,2-a]pyrazin-3-amine
CID 22024521
8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine
CID 22024491
8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine
CID 139991952
4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374892
8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine
CID 22024345
N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374879
3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one
CID 176675696
5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
5-(2,4-dichlorophenyl)-3,6-diethyl-N,N-bis(2-methoxyethyl)pyrazin-2-amine
CID 53310410
N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374883
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
1-[2-(2,4-dichlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 39146113

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine (CID 22024605) is N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine is CCCN(c1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccn12)C(C)CC.
What is the InChIKey of N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine?
The InChIKey is ZIHAEZCEAYDKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4/c1-5-11-26(14(4)6-2)21-18(7-3)25-20-19(24-10-12-27(20)21)16-9-8-15(22)13-17(16)23/h8-10,12-14H,5-7,11H2,1-4H3.
What are the key properties of N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine?
N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine has a molecular weight of 405.37 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 22024605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).