1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea

C17H16F2N6O — CID 122301272

IUPAC1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea
SMILESCc1nc(C)n(-c2ncc(NC(=O)Nc3cc(F)ccc3F)cn2)c1C
InChIInChI=1S/C17H16F2N6O/c1-9-10(2)25(11(3)22-9)16-20-7-13(8-21-16)23-17(26)24-15-6-12(18)4-5-14(15)19/h4-8H,1-3H3,(H2,23,24,26)
InChIKeyCKQISMCJPKAWRE-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.51
Rot. Bonds3

About 1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea

1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea (PubChem CID 122301272) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea
PubChem CID122301272
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea
SMILESCc1nc(C)n(-c2ncc(NC(=O)Nc3cc(F)ccc3F)cn2)c1C
InChIInChI=1S/C17H16F2N6O/c1-9-10(2)25(11(3)22-9)16-20-7-13(8-21-16)23-17(26)24-15-6-12(18)4-5-14(15)19/h4-8H,1-3H3,(H2,23,24,26)
InChIKeyCKQISMCJPKAWRE-UHFFFAOYSA-N
XLogP3.51
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 122301482
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea
CID 122300777
N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122301228
N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122301229
(E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide
CID 122301225
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301399
5-pyridin-3-yl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]-1,2-oxazole-3-carboxamide
CID 122301419
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
CID 61340178
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121252
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea (CID 122301272) is 1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea is Cc1nc(C)n(-c2ncc(NC(=O)Nc3cc(F)ccc3F)cn2)c1C.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea?
The InChIKey is CKQISMCJPKAWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O/c1-9-10(2)25(11(3)22-9)16-20-7-13(8-21-16)23-17(26)24-15-6-12(18)4-5-14(15)19/h4-8H,1-3H3,(H2,23,24,26).
What are the key properties of 1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea?
1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea has a molecular weight of 358.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea is sourced from PubChem (CID 122301272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).