1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea

C13H14N4O3 — CID 71799842

IUPAC1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
SMILESCOc1ncc(NC(=O)Nc2ccccc2OC)cn1
InChIInChI=1S/C13H14N4O3/c1-19-11-6-4-3-5-10(11)17-12(18)16-9-7-14-13(20-2)15-8-9/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyNBJFQNSAAWGJRR-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea

1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea (PubChem CID 71799842) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
PubChem CID71799842
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
SMILESCOc1ncc(NC(=O)Nc2ccccc2OC)cn1
InChIInChI=1S/C13H14N4O3/c1-19-11-6-4-3-5-10(11)17-12(18)16-9-7-14-13(20-2)15-8-9/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyNBJFQNSAAWGJRR-UHFFFAOYSA-N
XLogP2.14
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
CID 168763596
CID 168763596
1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea
CID 113338786
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302267
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea
CID 122301728
[4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate
CID 71478393
1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 91968447
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea
CID 72547993
1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea
CID 108866585

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea (CID 71799842) is 1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea is COc1ncc(NC(=O)Nc2ccccc2OC)cn1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea?
The InChIKey is NBJFQNSAAWGJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-19-11-6-4-3-5-10(11)17-12(18)16-9-7-14-13(20-2)15-8-9/h3-8H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea?
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea has a molecular weight of 274.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea is sourced from PubChem (CID 71799842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).