3-hydroxy-2-pyrimidin-2-ylpropanenitrile

C7H7N3O — CID 63215083

IUPAC3-hydroxy-2-pyrimidin-2-ylpropanenitrile
SMILESN#CC(CO)c1ncccn1
InChIInChI=1S/C7H7N3O/c8-4-6(5-11)7-9-2-1-3-10-7/h1-3,6,11H,5H2
InChIKeyTZVRLQOZJNXDQM-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.08
Rot. Bonds2

About 3-hydroxy-2-pyrimidin-2-ylpropanenitrile

3-hydroxy-2-pyrimidin-2-ylpropanenitrile (PubChem CID 63215083) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-hydroxy-2-pyrimidin-2-ylpropanenitrile.

Molecular Properties

Compound Name3-hydroxy-2-pyrimidin-2-ylpropanenitrile
PubChem CID63215083
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-hydroxy-2-pyrimidin-2-ylpropanenitrile
SMILESN#CC(CO)c1ncccn1
InChIInChI=1S/C7H7N3O/c8-4-6(5-11)7-9-2-1-3-10-7/h1-3,6,11H,5H2
InChIKeyTZVRLQOZJNXDQM-UHFFFAOYSA-N
XLogP0.08
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyanopyrimidine
CID 2757979
2-Ethenylpyrimidine
CID 10125052
3-[(2-Aminopyrimidin-4-yl)amino]propan-1-ol
CID 80771887
2-Pyrimidinemethanol
CID 2763024
2-Pyrimidineacetic Acid
CID 12367098
(2-Methylpyrimidin-5-yl)methanol
CID 14686706
1-(Pyrimidin-2-yl)ethan-1-ol
CID 17932922
2-(Pyrimidin-2-yl)propan-2-ol
CID 21907825
3-(Pyrimidin-2-yl)prop-2-yn-1-ol
CID 21919393
[2-(Propan-2-yl)pyrimidin-5-yl]methanol
CID 24903621
(4-Aminopyrimidin-2-yl)methanol
CID 53421437
(1S)-1-pyrimidin-2-ylethanol
CID 78998548

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-pyrimidin-2-ylpropanenitrile?
The IUPAC name of 3-hydroxy-2-pyrimidin-2-ylpropanenitrile (CID 63215083) is 3-hydroxy-2-pyrimidin-2-ylpropanenitrile.
What is the SMILES notation for 3-hydroxy-2-pyrimidin-2-ylpropanenitrile?
The canonical SMILES for 3-hydroxy-2-pyrimidin-2-ylpropanenitrile is N#CC(CO)c1ncccn1.
What is the InChIKey of 3-hydroxy-2-pyrimidin-2-ylpropanenitrile?
The InChIKey is TZVRLQOZJNXDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-4-6(5-11)7-9-2-1-3-10-7/h1-3,6,11H,5H2.
What are the key properties of 3-hydroxy-2-pyrimidin-2-ylpropanenitrile?
3-hydroxy-2-pyrimidin-2-ylpropanenitrile has a molecular weight of 149.15 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-pyrimidin-2-ylpropanenitrile is sourced from PubChem (CID 63215083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).