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

C15H17N3O2 — CID 130228812

IUPAC1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea
SMILESCc1nc(NC(=O)Nc2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C15H17N3O2/c1-9-10(2)14(16-11(3)13(9)19)18-15(20)17-12-7-5-4-6-8-12/h4-8,19H,1-3H3,(H2,16,17,18,20)
InChIKeyFFAFVJVDAXXNKY-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.36
Rot. Bonds2

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

1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea (PubChem CID 130228812) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea.

Molecular Properties

Compound Name1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea
PubChem CID130228812
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea
SMILESCc1nc(NC(=O)Nc2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C15H17N3O2/c1-9-10(2)14(16-11(3)13(9)19)18-15(20)17-12-7-5-4-6-8-12/h4-8,19H,1-3H3,(H2,16,17,18,20)
InChIKeyFFAFVJVDAXXNKY-UHFFFAOYSA-N
XLogP3.36
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.36
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
6-Amino-2-(10-hydroxydecyl)-4-methylpyridin-3-ol
CID 66553675
6-hydroxy-5,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
CID 72164894
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
Urea, N-(3-hydroxy-2-pyridinyl)-N'-phenyl-
CID 1278719
6-(Dimethylamino)-2,4-dimethylpyridin-3-ol
CID 10909926
6-Amino-2,4,5-trimethylpyridin-3-ol
CID 71622385
6-(Hexylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622386
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea?
The IUPAC name of 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea (CID 130228812) is 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea.
What is the SMILES notation for 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea?
The canonical SMILES for 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea is Cc1nc(NC(=O)Nc2ccccc2)c(C)c(C)c1O.
What is the InChIKey of 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea?
The InChIKey is FFAFVJVDAXXNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-10(2)14(16-11(3)13(9)19)18-15(20)17-12-7-5-4-6-8-12/h4-8,19H,1-3H3,(H2,16,17,18,20).
What are the key properties of 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea?
1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea has a molecular weight of 271.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylurea is sourced from PubChem (CID 130228812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).