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

C21H21N7O4S — CID 20805716

IUPAC2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine
SMILESCOc1ccc(-c2cc3nccn3c(Nc3ccc(S(=O)(=O)N=C(N)N)cc3)n2)cc1OC
InChIInChI=1S/C21H21N7O4S/c1-31-17-8-3-13(11-18(17)32-2)16-12-19-24-9-10-28(19)21(26-16)25-14-4-6-15(7-5-14)33(29,30)27-20(22)23/h3-12H,1-2H3,(H,25,26)(H4,22,23,27)
InChIKeyLQXDVVLVUYWGNX-UHFFFAOYSA-N
MW467.51 g/mol
LogP2.12
Rot. Bonds7

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

2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine (PubChem CID 20805716) has the molecular formula C21H21N7O4S and a molecular weight of 467.51 g/mol. Its IUPAC name is 2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine
PubChem CID20805716
Molecular FormulaC21H21N7O4S
Molecular Weight467.51 g/mol
Exact Mass467.14
IUPAC Name2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine
SMILESCOc1ccc(-c2cc3nccn3c(Nc3ccc(S(=O)(=O)N=C(N)N)cc3)n2)cc1OC
InChIInChI=1S/C21H21N7O4S/c1-31-17-8-3-13(11-18(17)32-2)16-12-19-24-9-10-28(19)21(26-16)25-14-4-6-15(7-5-14)33(29,30)27-20(22)23/h3-12H,1-2H3,(H,25,26)(H4,22,23,27)
InChIKeyLQXDVVLVUYWGNX-UHFFFAOYSA-N
XLogP2.12
TPSA159.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate
CID 20806116
3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide
CID 20805837
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
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
4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline
CID 20806044
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
7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]-N-(2-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 10206138

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine (CID 20805716) is 2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine is COc1ccc(-c2cc3nccn3c(Nc3ccc(S(=O)(=O)N=C(N)N)cc3)n2)cc1OC.
What is the InChIKey of 2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine?
The InChIKey is LQXDVVLVUYWGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O4S/c1-31-17-8-3-13(11-18(17)32-2)16-12-19-24-9-10-28(19)21(26-16)25-14-4-6-15(7-5-14)33(29,30)27-20(22)23/h3-12H,1-2H3,(H,25,26)(H4,22,23,27).
What are the key properties of 2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine?
2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine has a molecular weight of 467.51 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine is sourced from PubChem (CID 20805716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).