1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea

C21H21FN4O2 — CID 122303288

IUPAC1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea
SMILESCc1ccc(NC(=O)Nc2c(C)nc(Oc3ccccc3F)nc2C)c(C)c1
InChIInChI=1S/C21H21FN4O2/c1-12-9-10-17(13(2)11-12)25-20(27)26-19-14(3)23-21(24-15(19)4)28-18-8-6-5-7-16(18)22/h5-11H,1-4H3,(H2,25,26,27)
InChIKeySTGANPVXMUOGFW-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.29
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea

1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea (PubChem CID 122303288) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea
PubChem CID122303288
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea
SMILESCc1ccc(NC(=O)Nc2c(C)nc(Oc3ccccc3F)nc2C)c(C)c1
InChIInChI=1S/C21H21FN4O2/c1-12-9-10-17(13(2)11-12)25-20(27)26-19-14(3)23-21(24-15(19)4)28-18-8-6-5-7-16(18)22/h5-11H,1-4H3,(H2,25,26,27)
InChIKeySTGANPVXMUOGFW-UHFFFAOYSA-N
XLogP5.29
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-methylbenzamide
CID 122303223
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide
CID 122303244
4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 91969101
2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide
CID 122303430
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
CID 122303234
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 91969103
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide
CID 122303464
(E)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 122303446
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide
CID 122303499
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122303405
(E)-3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]prop-2-enamide
CID 122303350
(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate
CID 127520358

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea (CID 122303288) is 1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea is Cc1ccc(NC(=O)Nc2c(C)nc(Oc3ccccc3F)nc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea?
The InChIKey is STGANPVXMUOGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-12-9-10-17(13(2)11-12)25-20(27)26-19-14(3)23-21(24-15(19)4)28-18-8-6-5-7-16(18)22/h5-11H,1-4H3,(H2,25,26,27).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea?
1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea has a molecular weight of 380.42 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea is sourced from PubChem (CID 122303288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).