1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea

C14H23N3O2 — CID 86793312

IUPAC1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)N(C)C(CO)C(C)(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-10-7-6-8-12(15-10)16-13(19)17(5)11(9-18)14(2,3)4/h6-8,11,18H,9H2,1-5H3,(H,15,16,19)
InChIKeyMEYFNJCZNYCYDU-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.26
Rot. Bonds3

About 1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea

1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea (PubChem CID 86793312) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea
PubChem CID86793312
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)N(C)C(CO)C(C)(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-10-7-6-8-12(15-10)16-13(19)17(5)11(9-18)14(2,3)4/h6-8,11,18H,9H2,1-5H3,(H,15,16,19)
InChIKeyMEYFNJCZNYCYDU-UHFFFAOYSA-N
XLogP2.26
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea (CID 86793312) is 1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)N(C)C(CO)C(C)(C)C)n1.
What is the InChIKey of 1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is MEYFNJCZNYCYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-7-6-8-12(15-10)16-13(19)17(5)11(9-18)14(2,3)4/h6-8,11,18H,9H2,1-5H3,(H,15,16,19).
What are the key properties of 1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea?
1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 265.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3,3-dimethylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 86793312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).