1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea

C15H16F2N4O3 — CID 126779104

IUPAC1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea
SMILESCOc1ncncc1NC(=O)NCCc1ccccc1OC(F)F
InChIInChI=1S/C15H16F2N4O3/c1-23-13-11(8-18-9-20-13)21-15(22)19-7-6-10-4-2-3-5-12(10)24-14(16)17/h2-5,8-9,14H,6-7H2,1H3,(H2,19,21,22)
InChIKeyUBLNRECLVRFQRU-UHFFFAOYSA-N
MW338.31 g/mol
LogP2.45
Rot. Bonds7

About 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea

1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea (PubChem CID 126779104) has the molecular formula C15H16F2N4O3 and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea
PubChem CID126779104
Molecular FormulaC15H16F2N4O3
Molecular Weight338.31 g/mol
Exact Mass338.12
IUPAC Name1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea
SMILESCOc1ncncc1NC(=O)NCCc1ccccc1OC(F)F
InChIInChI=1S/C15H16F2N4O3/c1-23-13-11(8-18-9-20-13)21-15(22)19-7-6-10-4-2-3-5-12(10)24-14(16)17/h2-5,8-9,14H,6-7H2,1H3,(H2,19,21,22)
InChIKeyUBLNRECLVRFQRU-UHFFFAOYSA-N
XLogP2.45
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-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

3-[2-[2-(difluoromethoxy)phenyl]ethylcarbamoylamino]propanoic acid
CID 122011386
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea
CID 99858558
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
CID 108899866
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
CID 108812054
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 110606666
1-(3,5-dimethoxyphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3502987
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
CID 64866201
1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 974359
1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea
CID 24528610

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea?
The IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea (CID 126779104) is 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea.
What is the SMILES notation for 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea?
The canonical SMILES for 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea is COc1ncncc1NC(=O)NCCc1ccccc1OC(F)F.
What is the InChIKey of 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea?
The InChIKey is UBLNRECLVRFQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O3/c1-23-13-11(8-18-9-20-13)21-15(22)19-7-6-10-4-2-3-5-12(10)24-14(16)17/h2-5,8-9,14H,6-7H2,1H3,(H2,19,21,22).
What are the key properties of 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea?
1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea has a molecular weight of 338.31 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea is sourced from PubChem (CID 126779104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).