1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea

C21H19N5O3 — CID 122285249

IUPAC1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1OC
InChIInChI=1S/C21H19N5O3/c1-28-18-9-4-8-16(19(18)29-2)25-21(27)23-15-7-3-6-14(12-15)17-13-26-11-5-10-22-20(26)24-17/h3-13H,1-2H3,(H2,23,25,27)
InChIKeyZKZAAYCAFGPJPU-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.06
Rot. Bonds5

About 1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea

1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea (PubChem CID 122285249) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
PubChem CID122285249
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1OC
InChIInChI=1S/C21H19N5O3/c1-28-18-9-4-8-16(19(18)29-2)25-21(27)23-15-7-3-6-14(12-15)17-13-26-11-5-10-22-20(26)24-17/h3-13H,1-2H3,(H2,23,25,27)
InChIKeyZKZAAYCAFGPJPU-UHFFFAOYSA-N
XLogP4.06
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 121033128
1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 122283501
1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033104
1-(2-ethylphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033112
1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285057
1-(3-chloro-4-methoxyphenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033137
1-(2,3-dimethoxyphenyl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 122284184
3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 27652156
2-(2-fluorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 122285100
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033129
1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121033146
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-naphthalen-1-ylacetamide
CID 122285464

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea (CID 122285249) is 1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea is COc1cccc(NC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
The InChIKey is ZKZAAYCAFGPJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-28-18-9-4-8-16(19(18)29-2)25-21(27)23-15-7-3-6-14(12-15)17-13-26-11-5-10-22-20(26)24-17/h3-13H,1-2H3,(H2,23,25,27).
What are the key properties of 1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea has a molecular weight of 389.42 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea is sourced from PubChem (CID 122285249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).