1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea

C12H10F2N4O2 — CID 122301482

IUPAC1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea
SMILESCOc1ncc(NC(=O)Nc2cc(F)ccc2F)cn1
InChIInChI=1S/C12H10F2N4O2/c1-20-12-15-5-8(6-16-12)17-11(19)18-10-4-7(13)2-3-9(10)14/h2-6H,1H3,(H2,17,18,19)
InChIKeyPFBWUHTUYZAEHS-UHFFFAOYSA-N
MW280.23 g/mol
LogP2.41
Rot. Bonds3

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

1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea (PubChem CID 122301482) has the molecular formula C12H10F2N4O2 and a molecular weight of 280.23 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea
PubChem CID122301482
Molecular FormulaC12H10F2N4O2
Molecular Weight280.23 g/mol
Exact Mass280.08
IUPAC Name1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea
SMILESCOc1ncc(NC(=O)Nc2cc(F)ccc2F)cn1
InChIInChI=1S/C12H10F2N4O2/c1-20-12-15-5-8(6-16-12)17-11(19)18-10-4-7(13)2-3-9(10)14/h2-6H,1H3,(H2,17,18,19)
InChIKeyPFBWUHTUYZAEHS-UHFFFAOYSA-N
XLogP2.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
CID 122301865
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea
CID 122301272
1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 91968447
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea
CID 122300777
2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799750
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
CID 61340178
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea
CID 83101976

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea (CID 122301482) is 1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea is COc1ncc(NC(=O)Nc2cc(F)ccc2F)cn1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea?
The InChIKey is PFBWUHTUYZAEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O2/c1-20-12-15-5-8(6-16-12)17-11(19)18-10-4-7(13)2-3-9(10)14/h2-6H,1H3,(H2,17,18,19).
What are the key properties of 1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea?
1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea has a molecular weight of 280.23 g/mol, XLogP of 2.41, 3 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-methoxypyrimidin-5-yl)urea is sourced from PubChem (CID 122301482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).