1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea

C13H14N4O2 — CID 6465781

IUPAC1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea
SMILESCOc1cccc(NC(=O)Nc2nccc(C)n2)c1
InChIInChI=1S/C13H14N4O2/c1-9-6-7-14-12(15-9)17-13(18)16-10-4-3-5-11(8-10)19-2/h3-8H,1-2H3,(H2,14,15,16,17,18)
InChIKeyLGLLXAJTOLIQQV-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.44
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea

1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea (PubChem CID 6465781) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea
PubChem CID6465781
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea
SMILESCOc1cccc(NC(=O)Nc2nccc(C)n2)c1
InChIInChI=1S/C13H14N4O2/c1-9-6-7-14-12(15-9)17-13(18)16-10-4-3-5-11(8-10)19-2/h3-8H,1-2H3,(H2,14,15,16,17,18)
InChIKeyLGLLXAJTOLIQQV-UHFFFAOYSA-N
XLogP2.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea (CID 6465781) is 1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea is COc1cccc(NC(=O)Nc2nccc(C)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea?
The InChIKey is LGLLXAJTOLIQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-6-7-14-12(15-9)17-13(18)16-10-4-3-5-11(8-10)19-2/h3-8H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea?
1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea has a molecular weight of 258.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea is sourced from PubChem (CID 6465781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).