1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea

C16H17F3N4O3 — CID 122304590

IUPAC1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCCOc1ncc(NC(=O)Nc2ccccc2C(F)(F)F)c(OCC)n1
InChIInChI=1S/C16H17F3N4O3/c1-3-25-13-12(9-20-15(23-13)26-4-2)22-14(24)21-11-8-6-5-7-10(11)16(17,18)19/h5-9H,3-4H2,1-2H3,(H2,21,22,24)
InChIKeyYYEMDRXQZMUPCN-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.94
Rot. Bonds6

About 1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea

1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 122304590) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID122304590
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC Name1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCCOc1ncc(NC(=O)Nc2ccccc2C(F)(F)F)c(OCC)n1
InChIInChI=1S/C16H17F3N4O3/c1-3-25-13-12(9-20-15(23-13)26-4-2)22-14(24)21-11-8-6-5-7-10(11)16(17,18)19/h5-9H,3-4H2,1-2H3,(H2,21,22,24)
InChIKeyYYEMDRXQZMUPCN-UHFFFAOYSA-N
XLogP3.94
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304411
1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea
CID 122304334
N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide
CID 122304278
N-(2,4-diethoxypyrimidin-5-yl)-4-iodobenzamide
CID 122304596
(E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122304392
2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46343993
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497980
N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide
CID 122304259
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806
N-(2,4-diethoxypyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122304384
ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122355870

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea (CID 122304590) is 1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea is CCOc1ncc(NC(=O)Nc2ccccc2C(F)(F)F)c(OCC)n1.
What is the InChIKey of 1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is YYEMDRXQZMUPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c1-3-25-13-12(9-20-15(23-13)26-4-2)22-14(24)21-11-8-6-5-7-10(11)16(17,18)19/h5-9H,3-4H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 370.33 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 122304590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).