1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea

C13H15F3N6O — CID 146143316

IUPAC1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea
SMILESCCc1ncc(NC(=O)NC(c2nccn2C)C(F)(F)F)cn1
InChIInChI=1S/C13H15F3N6O/c1-3-9-18-6-8(7-19-9)20-12(23)21-10(13(14,15)16)11-17-4-5-22(11)2/h4-7,10H,3H2,1-2H3,(H2,20,21,23)
InChIKeyPSGCLCHRZQIFBN-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.20
Rot. Bonds4

About 1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea

1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea (PubChem CID 146143316) has the molecular formula C13H15F3N6O and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea
PubChem CID146143316
Molecular FormulaC13H15F3N6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC Name1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea
SMILESCCc1ncc(NC(=O)NC(c2nccn2C)C(F)(F)F)cn1
InChIInChI=1S/C13H15F3N6O/c1-3-9-18-6-8(7-19-9)20-12(23)21-10(13(14,15)16)11-17-4-5-22(11)2/h4-7,10H,3H2,1-2H3,(H2,20,21,23)
InChIKeyPSGCLCHRZQIFBN-UHFFFAOYSA-N
XLogP2.20
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea
CID 139018282
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 25358086
1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 41430481
1-[bis(1-methylimidazol-2-yl)methyl]-3-[2-(1,1-difluoroethyl)phenyl]urea
CID 154765474
1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 126818462
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea
CID 110473515
1-(4-chlorophenyl)-3-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17489943
1-(4-chlorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430473
1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5,7-difluoro-1,3-dimethylindol-2-yl)-2,2,2-trifluoroethyl]urea
CID 166533082
2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol
CID 104860530
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea (CID 146143316) is 1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea is CCc1ncc(NC(=O)NC(c2nccn2C)C(F)(F)F)cn1.
What is the InChIKey of 1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea?
The InChIKey is PSGCLCHRZQIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O/c1-3-9-18-6-8(7-19-9)20-12(23)21-10(13(14,15)16)11-17-4-5-22(11)2/h4-7,10H,3H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea?
1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea has a molecular weight of 328.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 146143316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).