1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea

C14H14F2N4O2 — CID 121119455

IUPAC1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1cc(=O)n(CCNC(=O)Nc2cc(F)ccc2F)cn1
InChIInChI=1S/C14H14F2N4O2/c1-9-6-13(21)20(8-18-9)5-4-17-14(22)19-12-7-10(15)2-3-11(12)16/h2-3,6-8H,4-5H2,1H3,(H2,17,19,22)
InChIKeyZCXQWMUTBSTHMF-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.65
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea

1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 121119455) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
PubChem CID121119455
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1cc(=O)n(CCNC(=O)Nc2cc(F)ccc2F)cn1
InChIInChI=1S/C14H14F2N4O2/c1-9-6-13(21)20(8-18-9)5-4-17-14(22)19-12-7-10(15)2-3-11(12)16/h2-3,6-8H,4-5H2,1H3,(H2,17,19,22)
InChIKeyZCXQWMUTBSTHMF-UHFFFAOYSA-N
XLogP1.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121119290
1-(2,5-dimethoxyphenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121119485
1-(3,5-dimethoxyphenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121119478
2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119210
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
CID 47032101
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-fluorophenyl)urea
CID 121120173
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516229
1-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121119862
1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea
CID 20964016
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-methylsulfanylbenzamide
CID 121119327
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
CID 121119228

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea (CID 121119455) is 1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea is Cc1cc(=O)n(CCNC(=O)Nc2cc(F)ccc2F)cn1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is ZCXQWMUTBSTHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c1-9-6-13(21)20(8-18-9)5-4-17-14(22)19-12-7-10(15)2-3-11(12)16/h2-3,6-8H,4-5H2,1H3,(H2,17,19,22).
What are the key properties of 1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 308.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 121119455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).