1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea

C20H20N4O3 — CID 122262605

IUPAC1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
SMILESCOc1ccc(-c2cc(CNC(=O)Nc3ccccc3OC)ncn2)cc1
InChIInChI=1S/C20H20N4O3/c1-26-16-9-7-14(8-10-16)18-11-15(22-13-23-18)12-21-20(25)24-17-5-3-4-6-19(17)27-2/h3-11,13H,12H2,1-2H3,(H2,21,24,25)
InChIKeyUXRCCLCZCNXUCL-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.48
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea

1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea (PubChem CID 122262605) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
PubChem CID122262605
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
SMILESCOc1ccc(-c2cc(CNC(=O)Nc3ccccc3OC)ncn2)cc1
InChIInChI=1S/C20H20N4O3/c1-26-16-9-7-14(8-10-16)18-11-15(22-13-23-18)12-21-20(25)24-17-5-3-4-6-19(17)27-2/h3-11,13H,12H2,1-2H3,(H2,21,24,25)
InChIKeyUXRCCLCZCNXUCL-UHFFFAOYSA-N
XLogP3.48
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262622
1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
CID 122262121
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122261886
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 122262877
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103891
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262265

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea (CID 122262605) is 1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea is COc1ccc(-c2cc(CNC(=O)Nc3ccccc3OC)ncn2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea?
The InChIKey is UXRCCLCZCNXUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-16-9-7-14(8-10-16)18-11-15(22-13-23-18)12-21-20(25)24-17-5-3-4-6-19(17)27-2/h3-11,13H,12H2,1-2H3,(H2,21,24,25).
What are the key properties of 1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea?
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea has a molecular weight of 364.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea is sourced from PubChem (CID 122262605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).