1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea

C20H20N4O2 — CID 51033261

IUPAC1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(Oc3nc(C)cc(C)n3)cc2)c1
InChIInChI=1S/C20H20N4O2/c1-13-5-4-6-17(11-13)24-19(25)23-16-7-9-18(10-8-16)26-20-21-14(2)12-15(3)22-20/h4-12H,1-3H3,(H2,23,24,25)
InChIKeyBVYIRYYGMAABFM-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.84
Rot. Bonds4

About 1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea

1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea (PubChem CID 51033261) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea
PubChem CID51033261
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(Oc3nc(C)cc(C)n3)cc2)c1
InChIInChI=1S/C20H20N4O2/c1-13-5-4-6-17(11-13)24-19(25)23-16-7-9-18(10-8-16)26-20-21-14(2)12-15(3)22-20/h4-12H,1-3H3,(H2,23,24,25)
InChIKeyBVYIRYYGMAABFM-UHFFFAOYSA-N
XLogP4.84
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
CID 2952997
CID 2952997
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
CID 154815704
US9580449, Example A241
CID 71473856
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
4-((4,6-Dimethylpyrimidin-2-yl)oxy)aniline
CID 767037
[3-(2-Amino-6-phenylpyrimidin-4-yl)phenyl] pyrrolidine-1-carboxylate
CID 127036831
[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-diethylcarbamate
CID 127037136
[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate
CID 127037137

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea (CID 51033261) is 1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(Oc3nc(C)cc(C)n3)cc2)c1.
What is the InChIKey of 1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea?
The InChIKey is BVYIRYYGMAABFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-5-4-6-17(11-13)24-19(25)23-16-7-9-18(10-8-16)26-20-21-14(2)12-15(3)22-20/h4-12H,1-3H3,(H2,23,24,25).
What are the key properties of 1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea?
1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea has a molecular weight of 348.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 51033261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).