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

C20H20N4O2 — CID 122303627

IUPAC1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)c1
InChIInChI=1S/C20H20N4O2/c1-13-8-7-9-16(12-13)23-19(25)24-18-14(2)21-20(22-15(18)3)26-17-10-5-4-6-11-17/h4-12H,1-3H3,(H2,23,24,25)
InChIKeyATHVBHFXLYKATN-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.84
Rot. Bonds4

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

1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea (PubChem CID 122303627) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea
PubChem CID122303627
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)c1
InChIInChI=1S/C20H20N4O2/c1-13-8-7-9-16(12-13)23-19(25)24-18-14(2)21-20(22-15(18)3)26-17-10-5-4-6-11-17/h4-12H,1-3H3,(H2,23,24,25)
InChIKeyATHVBHFXLYKATN-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

1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea
CID 122303902
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 122303901
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122303609
1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302636
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122303779
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 122303589
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 91969154
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea (CID 122303627) is 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea?
The InChIKey is ATHVBHFXLYKATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-8-7-9-16(12-13)23-19(25)24-18-14(2)21-20(22-15(18)3)26-17-10-5-4-6-11-17/h4-12H,1-3H3,(H2,23,24,25).
What are the key properties of 1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea?
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-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-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 122303627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).