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

C21H20N6O2 — CID 20805837

IUPAC3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Nc2nc(-c3ccc(OC)c(OC)c3)cc3nccn23)c1
InChIInChI=1S/C21H20N6O2/c1-28-17-7-6-13(11-18(17)29-2)16-12-19-24-8-9-27(19)21(26-16)25-15-5-3-4-14(10-15)20(22)23/h3-12H,1-2H3,(H3,22,23)(H,25,26)
InChIKeyNPPLOFBMSOJRNL-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.44
Rot. Bonds6

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

3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide (PubChem CID 20805837) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide
PubChem CID20805837
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Nc2nc(-c3ccc(OC)c(OC)c3)cc3nccn23)c1
InChIInChI=1S/C21H20N6O2/c1-28-17-7-6-13(11-18(17)29-2)16-12-19-24-8-9-27(19)21(26-16)25-15-5-3-4-14(10-15)20(22)23/h3-12H,1-2H3,(H3,22,23)(H,25,26)
InChIKeyNPPLOFBMSOJRNL-UHFFFAOYSA-N
XLogP3.44
TPSA110.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol
CID 20806083
N-(3,5-difluorophenyl)-7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 20806138
7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine
CID 20806007
7-(3,4-dimethoxyphenyl)-N-(4-propan-2-yloxyphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 20805975
2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine
CID 20805716
methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate
CID 20806116
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
7-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine
CID 20806064
4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline
CID 20806044
3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide
CID 59298993
3-[4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]anilino]benzoic acid
CID 68794839

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide?
The IUPAC name of 3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide (CID 20805837) is 3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide.
What is the SMILES notation for 3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide?
The canonical SMILES for 3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(Nc2nc(-c3ccc(OC)c(OC)c3)cc3nccn23)c1.
What is the InChIKey of 3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide?
The InChIKey is NPPLOFBMSOJRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-28-17-7-6-13(11-18(17)29-2)16-12-19-24-8-9-27(19)21(26-16)25-15-5-3-4-14(10-15)20(22)23/h3-12H,1-2H3,(H3,22,23)(H,25,26).
What are the key properties of 3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide?
3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide has a molecular weight of 388.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide is sourced from PubChem (CID 20805837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).