2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile

C6H5N3O2 — CID 67282395

IUPAC2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile
SMILESN#CCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H5N3O2/c7-2-1-4-8-5(10)3-6(11)9-4/h3H,1H2,(H2,8,9,10,11)
InChIKeyLODBIBUTHMISLU-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.46
Rot. Bonds1

About 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile

2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile (PubChem CID 67282395) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile
PubChem CID67282395
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile
SMILESN#CCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H5N3O2/c7-2-1-4-8-5(10)3-6(11)9-4/h3H,1H2,(H2,8,9,10,11)
InChIKeyLODBIBUTHMISLU-UHFFFAOYSA-N
XLogP-0.46
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dihydroxy-2-methylpyrimidine
CID 222672
5-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)pentanenitrile
CID 127043659
2-Propylpyrimidine-4,6-diol
CID 12280642
AC1Ldwnn
CID 676463
2-(3-Aminopropyl)-6-hydroxy-3,4-dihydropyrimidin-4-one hydrochloride
CID 165604793
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
2-(Fluoromethyl)pyrimidine-4,6-diol
CID 59343540
2-(2,2,2-Trifluoroethyl)pyrimidine-4,6-diol
CID 63613426
2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 170305590
2-(1-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 176254116
2-(4,6-Dihydroxypyrimidin-2-yl)acetamide
CID 226794
4,6-Dihydroxypyrimidin-2-ylthioacetic acid
CID 129763712

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile?
The IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile (CID 67282395) is 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile?
The canonical SMILES for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile is N#CCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile?
The InChIKey is LODBIBUTHMISLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c7-2-1-4-8-5(10)3-6(11)9-4/h3H,1H2,(H2,8,9,10,11).
What are the key properties of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile?
2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile has a molecular weight of 151.12 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetonitrile is sourced from PubChem (CID 67282395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).