1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea

C20H20N4O2 — CID 122262121

IUPAC1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
SMILESCCOc1ccccc1NC(=O)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C20H20N4O2/c1-2-26-19-11-7-6-10-17(19)24-20(25)21-13-16-12-18(23-14-22-16)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3,(H2,21,24,25)
InChIKeyWIKAQKJJDKLHRO-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.86
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea

1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea (PubChem CID 122262121) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
PubChem CID122262121
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
SMILESCCOc1ccccc1NC(=O)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C20H20N4O2/c1-2-26-19-11-7-6-10-17(19)24-20(25)21-13-16-12-18(23-14-22-16)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3,(H2,21,24,25)
InChIKeyWIKAQKJJDKLHRO-UHFFFAOYSA-N
XLogP3.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605
1-(2,3-dimethoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262622
1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
CID 122262101
6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122262059
2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122262006
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea
CID 108898949
4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81072787
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea
CID 122264075
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea (CID 122262121) is 1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea is CCOc1ccccc1NC(=O)NCc1cc(-c2ccccc2)ncn1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea?
The InChIKey is WIKAQKJJDKLHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-26-19-11-7-6-10-17(19)24-20(25)21-13-16-12-18(23-14-22-16)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3,(H2,21,24,25).
What are the key properties of 1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea?
1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea has a molecular weight of 348.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 122262121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).