1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea

C14H15FN4O2 — CID 122302636

IUPAC1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
SMILESCOc1nc(C)c(NC(=O)Nc2cccc(F)c2)c(C)n1
InChIInChI=1S/C14H15FN4O2/c1-8-12(9(2)17-14(16-8)21-3)19-13(20)18-11-6-4-5-10(15)7-11/h4-7H,1-3H3,(H2,18,19,20)
InChIKeyUJHILOBEMUHKPV-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.89
Rot. Bonds3

About 1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea

1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea (PubChem CID 122302636) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
PubChem CID122302636
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
SMILESCOc1nc(C)c(NC(=O)Nc2cccc(F)c2)c(C)n1
InChIInChI=1S/C14H15FN4O2/c1-8-12(9(2)17-14(16-8)21-3)19-13(20)18-11-6-4-5-10(15)7-11/h4-7H,1-3H3,(H2,18,19,20)
InChIKeyUJHILOBEMUHKPV-UHFFFAOYSA-N
XLogP2.89
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302650
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea
CID 122303627
1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302645
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777
1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea
CID 104757285
1-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 35592263
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 122303901
1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215715
1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
CID 894122
1-(3-fluorophenyl)-3-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]urea
CID 167531042

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea (CID 122302636) is 1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea is COc1nc(C)c(NC(=O)Nc2cccc(F)c2)c(C)n1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea?
The InChIKey is UJHILOBEMUHKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-8-12(9(2)17-14(16-8)21-3)19-13(20)18-11-6-4-5-10(15)7-11/h4-7H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea?
1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea has a molecular weight of 290.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea is sourced from PubChem (CID 122302636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).