1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea

C13H21N3O2 — CID 111119402

IUPAC1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea
SMILESCCC(C)C(C)(O)CNC(=O)Nc1cccnc1
InChIInChI=1S/C13H21N3O2/c1-4-10(2)13(3,18)9-15-12(17)16-11-6-5-7-14-8-11/h5-8,10,18H,4,9H2,1-3H3,(H2,15,16,17)
InChIKeyRATHSLHFXZTMEM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.00
Rot. Bonds5

About 1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea

1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea (PubChem CID 111119402) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea
PubChem CID111119402
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea
SMILESCCC(C)C(C)(O)CNC(=O)Nc1cccnc1
InChIInChI=1S/C13H21N3O2/c1-4-10(2)13(3,18)9-15-12(17)16-11-6-5-7-14-8-11/h5-8,10,18H,4,9H2,1-3H3,(H2,15,16,17)
InChIKeyRATHSLHFXZTMEM-UHFFFAOYSA-N
XLogP2.00
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120487
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea
CID 111473834
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111121213
1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 111119424
2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol
CID 111118943
3-methyl-N-pyridin-3-ylpentanamide;molecular hydrogen
CID 166133137
2-[(pyridin-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65218136
1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120346
1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea
CID 167246935
2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 95987001

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea (CID 111119402) is 1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea is CCC(C)C(C)(O)CNC(=O)Nc1cccnc1.
What is the InChIKey of 1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea?
The InChIKey is RATHSLHFXZTMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-10(2)13(3,18)9-15-12(17)16-11-6-5-7-14-8-11/h5-8,10,18H,4,9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea?
1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea has a molecular weight of 251.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 111119402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).