2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine

C30H30N8O2 — CID 46178283

IUPAC2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine
SMILESCOc1ccc(-c2cc(N3CCn4ccnc4C3)nc(/C=C/c3nc(N(C)C)c4ccccc4n3)n2)cc1OC
InChIInChI=1S/C30H30N8O2/c1-36(2)30-21-7-5-6-8-22(21)32-27(35-30)12-11-26-33-23(20-9-10-24(39-3)25(17-20)40-4)18-28(34-26)38-16-15-37-14-13-31-29(37)19-38/h5-14,17-18H,15-16,19H2,1-4H3/b12-11+
InChIKeyTWKSVNUYYOARLZ-VAWYXSNFSA-N
MW534.62 g/mol
LogP4.56
Rot. Bonds7

About 2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine

2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine (PubChem CID 46178283) has the molecular formula C30H30N8O2 and a molecular weight of 534.62 g/mol. Its IUPAC name is 2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine
PubChem CID46178283
Molecular FormulaC30H30N8O2
Molecular Weight534.62 g/mol
Exact Mass534.25
IUPAC Name2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine
SMILESCOc1ccc(-c2cc(N3CCn4ccnc4C3)nc(/C=C/c3nc(N(C)C)c4ccccc4n3)n2)cc1OC
InChIInChI=1S/C30H30N8O2/c1-36(2)30-21-7-5-6-8-22(21)32-27(35-30)12-11-26-33-23(20-9-10-24(39-3)25(17-20)40-4)18-28(34-26)38-16-15-37-14-13-31-29(37)19-38/h5-14,17-18H,15-16,19H2,1-4H3/b12-11+
InChIKeyTWKSVNUYYOARLZ-VAWYXSNFSA-N
XLogP4.56
TPSA94.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.62
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine with MolForge

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Related Compounds

CP466722
CID 44551660
SIS3 free base
CID 10138988
1,4-Bis(4-amino-6,7-dimethoxy-2-quinazolinyl)piperazine
CID 616293
PQ-10
CID 11955614
2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
CID 44176356
YM 90709
CID 1103147
N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330185
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
6-Methoxy-7-[2-(Quinolin-2-Yl)ethoxy]quinazoline
CID 24945787
2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine
CID 42629702
9-Methoxy-8-(2-methoxyethoxy)-2-(4-methyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236914
2-(1H-imidazol-1-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
CID 44236916

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine (CID 46178283) is 2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine is COc1ccc(-c2cc(N3CCn4ccnc4C3)nc(/C=C/c3nc(N(C)C)c4ccccc4n3)n2)cc1OC.
What is the InChIKey of 2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine?
The InChIKey is TWKSVNUYYOARLZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C30H30N8O2/c1-36(2)30-21-7-5-6-8-22(21)32-27(35-30)12-11-26-33-23(20-9-10-24(39-3)25(17-20)40-4)18-28(34-26)38-16-15-37-14-13-31-29(37)19-38/h5-14,17-18H,15-16,19H2,1-4H3/b12-11+.
What are the key properties of 2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine?
2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine has a molecular weight of 534.62 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 46178283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).