1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea

C15H16FN3O2 — CID 130229435

IUPAC1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea
SMILESCc1nc(NC(=O)Nc2ccc(F)cc2)c(C)c(C)c1O
InChIInChI=1S/C15H16FN3O2/c1-8-9(2)14(17-10(3)13(8)20)19-15(21)18-12-6-4-11(16)5-7-12/h4-7,20H,1-3H3,(H2,17,18,19,21)
InChIKeyMHBVKZSOTUSUNZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.50
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea

1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea (PubChem CID 130229435) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea
PubChem CID130229435
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea
SMILESCc1nc(NC(=O)Nc2ccc(F)cc2)c(C)c(C)c1O
InChIInChI=1S/C15H16FN3O2/c1-8-9(2)14(17-10(3)13(8)20)19-15(21)18-12-6-4-11(16)5-7-12/h4-7,20H,1-3H3,(H2,17,18,19,21)
InChIKeyMHBVKZSOTUSUNZ-UHFFFAOYSA-N
XLogP3.50
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-Trimethyl-6-(4-propylanilino)pyridin-3-ol
CID 124107079
N-(5-hydroxy-3,4,6-trimethylpyridine-2-yl)acetamide
CID 86271984
N-(5-hydroxy-3,4,6-trimethylpyridine-2-yl)-3-phenylpropanamide
CID 86304263
6-(Dimethylamino)-2,4-dimethylpyridin-3-ol
CID 10909926
6-(Cyclohexylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622516
6-(Benzylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622517
2,4,5-Trimethyl-6-(phenylamino)pyridin-3-ol
CID 71622518
6-((2-Isopropylphenyl)amino)-2,4,5-trimethylpyridin-3-ol
CID 71622519
6-((4-Bromophenyl)amino)-2,4,5-trimethylpyridin-3-ol
CID 71622520
6-(Diphenylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622657
N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide
CID 86304110
N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide
CID 86304111

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea (CID 130229435) is 1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea is Cc1nc(NC(=O)Nc2ccc(F)cc2)c(C)c(C)c1O.
What is the InChIKey of 1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea?
The InChIKey is MHBVKZSOTUSUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-8-9(2)14(17-10(3)13(8)20)19-15(21)18-12-6-4-11(16)5-7-12/h4-7,20H,1-3H3,(H2,17,18,19,21).
What are the key properties of 1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea?
1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea has a molecular weight of 289.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea is sourced from PubChem (CID 130229435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).