1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea

C11H17N3O2 — CID 111519668

IUPAC1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea
SMILESCC(C)(CCO)NC(=O)Nc1cccnc1
InChIInChI=1S/C11H17N3O2/c1-11(2,5-7-15)14-10(16)13-9-4-3-6-12-8-9/h3-4,6,8,15H,5,7H2,1-2H3,(H2,13,14,16)
InChIKeyGYYDYVOYMVKYPC-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.36
Rot. Bonds4

About 1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea

1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea (PubChem CID 111519668) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea
PubChem CID111519668
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea
SMILESCC(C)(CCO)NC(=O)Nc1cccnc1
InChIInChI=1S/C11H17N3O2/c1-11(2,5-7-15)14-10(16)13-9-4-3-6-12-8-9/h3-4,6,8,15H,5,7H2,1-2H3,(H2,13,14,16)
InChIKeyGYYDYVOYMVKYPC-UHFFFAOYSA-N
XLogP1.36
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 62487672
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 75424341
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide
CID 113343229
1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
CID 111926533
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754526
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea
CID 70456930
1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111754482
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea (CID 111519668) is 1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea is CC(C)(CCO)NC(=O)Nc1cccnc1.
What is the InChIKey of 1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea?
The InChIKey is GYYDYVOYMVKYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,5-7-15)14-10(16)13-9-4-3-6-12-8-9/h3-4,6,8,15H,5,7H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea?
1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea has a molecular weight of 223.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea is sourced from PubChem (CID 111519668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).