N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine

C22H25N7O2 — CID 16668578

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine
SMILESCOc1ccc(CCNc2c(-c3cnc(N(C)C)nc3)nc3cnccn23)cc1OC
InChIInChI=1S/C22H25N7O2/c1-28(2)22-25-12-16(13-26-22)20-21(29-10-9-23-14-19(29)27-20)24-8-7-15-5-6-17(30-3)18(11-15)31-4/h5-6,9-14,24H,7-8H2,1-4H3
InChIKeyHWYUZTCYLFMJSG-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.92
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine (PubChem CID 16668578) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine
PubChem CID16668578
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine
SMILESCOc1ccc(CCNc2c(-c3cnc(N(C)C)nc3)nc3cnccn23)cc1OC
InChIInChI=1S/C22H25N7O2/c1-28(2)22-25-12-16(13-26-22)20-21(29-10-9-23-14-19(29)27-20)24-8-7-15-5-6-17(30-3)18(11-15)31-4/h5-6,9-14,24H,7-8H2,1-4H3
InChIKeyHWYUZTCYLFMJSG-UHFFFAOYSA-N
XLogP2.92
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
CID 138535939
1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155566332
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 16675313
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5306720
2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674311
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
CID 63874532
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
2-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674529
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-amine
CID 16668400
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342229
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine (CID 16668578) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine is COc1ccc(CCNc2c(-c3cnc(N(C)C)nc3)nc3cnccn23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is HWYUZTCYLFMJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-28(2)22-25-12-16(13-26-22)20-21(29-10-9-23-14-19(29)27-20)24-8-7-15-5-6-17(30-3)18(11-15)31-4/h5-6,9-14,24H,7-8H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 419.49 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 16668578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).