1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea

C13H12F2N4O2 — CID 122301865

IUPAC1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
SMILESCCOc1ncc(NC(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C13H12F2N4O2/c1-2-21-13-16-6-9(7-17-13)18-12(20)19-11-4-3-8(14)5-10(11)15/h3-7H,2H2,1H3,(H2,18,19,20)
InChIKeyJJTQYIRSBDAUOI-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.80
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea

1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea (PubChem CID 122301865) has the molecular formula C13H12F2N4O2 and a molecular weight of 294.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
PubChem CID122301865
Molecular FormulaC13H12F2N4O2
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
SMILESCCOc1ncc(NC(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C13H12F2N4O2/c1-2-21-13-16-6-9(7-17-13)18-12(20)19-11-4-3-8(14)5-10(11)15/h3-7H,2H2,1H3,(H2,18,19,20)
InChIKeyJJTQYIRSBDAUOI-UHFFFAOYSA-N
XLogP2.80
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea
CID 2554098
1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 122301482
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-[4-(diethylamino)phenyl]-3-(2,4-difluorophenyl)urea
CID 970808
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-ethoxyphenyl]-3-(2,4-difluorophenyl)urea
CID 91217921
methyl 5-[(2,4-difluorophenyl)carbamoylamino]-3-ethoxy-1-benzothiophene-2-carboxylate
CID 53106828
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
CID 51178974
1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620412
1-(2-ethoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301912
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea (CID 122301865) is 1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea is CCOc1ncc(NC(=O)Nc2ccc(F)cc2F)cn1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea?
The InChIKey is JJTQYIRSBDAUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O2/c1-2-21-13-16-6-9(7-17-13)18-12(20)19-11-4-3-8(14)5-10(11)15/h3-7H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea?
1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea has a molecular weight of 294.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea is sourced from PubChem (CID 122301865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).