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

C21H20N4O4 — CID 20806083

IUPAC5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol
SMILESCOc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cc3nccn23)cc1O
InChIInChI=1S/C21H20N4O4/c1-27-17-7-5-14(11-16(17)26)23-21-24-15(12-20-22-8-9-25(20)21)13-4-6-18(28-2)19(10-13)29-3/h4-12,26H,1-3H3,(H,23,24)
InChIKeyYSRRLCQKOVXZSR-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.87
Rot. Bonds6

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

5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol (PubChem CID 20806083) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol
PubChem CID20806083
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol
SMILESCOc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cc3nccn23)cc1O
InChIInChI=1S/C21H20N4O4/c1-27-17-7-5-14(11-16(17)26)23-21-24-15(12-20-22-8-9-25(20)21)13-4-6-18(28-2)19(10-13)29-3/h4-12,26H,1-3H3,(H,23,24)
InChIKeyYSRRLCQKOVXZSR-UHFFFAOYSA-N
XLogP3.87
TPSA90.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-difluorophenyl)-7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 20806138
7-(3,4-dimethoxyphenyl)-N-(4-propan-2-yloxyphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 20805975
3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide
CID 20805837
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
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
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
7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine
CID 20805928
2-[4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylphenyl]sulfanylacetic acid
CID 20805767

Frequently Asked Questions

What is the IUPAC name of 5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol?
The IUPAC name of 5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol (CID 20806083) is 5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol.
What is the SMILES notation for 5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol?
The canonical SMILES for 5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol is COc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cc3nccn23)cc1O.
What is the InChIKey of 5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol?
The InChIKey is YSRRLCQKOVXZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-27-17-7-5-14(11-16(17)26)23-21-24-15(12-20-22-8-9-25(20)21)13-4-6-18(28-2)19(10-13)29-3/h4-12,26H,1-3H3,(H,23,24).
What are the key properties of 5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol?
5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol has a molecular weight of 392.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol is sourced from PubChem (CID 20806083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).