1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea

C22H24N4O5 — CID 122303901

IUPAC1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)cc(OC)c1OC
InChIInChI=1S/C22H24N4O5/c1-13-19(14(2)24-22(23-13)31-16-9-7-6-8-10-16)26-21(27)25-15-11-17(28-3)20(30-5)18(12-15)29-4/h6-12H,1-5H3,(H2,25,26,27)
InChIKeyMEQKMQSTPCPQFB-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.56
Rot. Bonds7

About 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea

1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 122303901) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID122303901
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)cc(OC)c1OC
InChIInChI=1S/C22H24N4O5/c1-13-19(14(2)24-22(23-13)31-16-9-7-6-8-10-16)26-21(27)25-15-11-17(28-3)20(30-5)18(12-15)29-4/h6-12H,1-5H3,(H2,25,26,27)
InChIKeyMEQKMQSTPCPQFB-UHFFFAOYSA-N
XLogP4.56
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 122303589
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea
CID 122303627
1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea
CID 122303902
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
CID 122303234
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866635
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-phenoxybenzamide
CID 122302706
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362283
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122303609
1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
CID 59343415

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea (CID 122303901) is 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)cc(OC)c1OC.
What is the InChIKey of 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is MEQKMQSTPCPQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-13-19(14(2)24-22(23-13)31-16-9-7-6-8-10-16)26-21(27)25-15-11-17(28-3)20(30-5)18(12-15)29-4/h6-12H,1-5H3,(H2,25,26,27).
What are the key properties of 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea?
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 424.46 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 122303901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).