methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate

C26H28N4O4 — CID 20806116

IUPACmethyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cc3nccn23)cc1
InChIInChI=1S/C26H28N4O4/c1-26(2,24(31)34-5)16-17-6-9-19(10-7-17)28-25-29-20(15-23-27-12-13-30(23)25)18-8-11-21(32-3)22(14-18)33-4/h6-15H,16H2,1-5H3,(H,28,29)
InChIKeyAJBSPHPXRMJSAF-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.90
Rot. Bonds8

About methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate

methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate (PubChem CID 20806116) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate
PubChem CID20806116
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Namemethyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cc3nccn23)cc1
InChIInChI=1S/C26H28N4O4/c1-26(2,24(31)34-5)16-17-6-9-19(10-7-17)28-25-29-20(15-23-27-12-13-30(23)25)18-8-11-21(32-3)22(14-18)33-4/h6-15H,16H2,1-5H3,(H,28,29)
InChIKeyAJBSPHPXRMJSAF-UHFFFAOYSA-N
XLogP4.90
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate with MolForge

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Related Compounds

5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol
CID 20806083
7-(3,4-dimethoxyphenyl)-N-(4-propan-2-yloxyphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 20805975
N-(3,5-difluorophenyl)-7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 20806138
2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine
CID 20805716
7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine
CID 20806007
3-[3-carbamoyl-4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]propanoic acid
CID 20805832
3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide
CID 20805837
tert-butyl (E)-3-[3-carbamoyl-4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]prop-2-enoate
CID 20806187
3-[4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylphenyl]-N,N-dimethylpropanamide
CID 20805860
2-[4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylphenyl]sulfanylacetic acid
CID 20805767
methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate
CID 20806107
4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline
CID 20806044

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate (CID 20806116) is methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cc3nccn23)cc1.
What is the InChIKey of methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate?
The InChIKey is AJBSPHPXRMJSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-26(2,24(31)34-5)16-17-6-9-19(10-7-17)28-25-29-20(15-23-27-12-13-30(23)25)18-8-11-21(32-3)22(14-18)33-4/h6-15H,16H2,1-5H3,(H,28,29).
What are the key properties of methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate?
methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate has a molecular weight of 460.53 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate is sourced from PubChem (CID 20806116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).