2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one

C8H10N2O2 — CID 67282595

IUPAC2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one
SMILESC=CC(C)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H10N2O2/c1-3-5(2)8-9-6(11)4-7(12)10-8/h3-5H,1H2,2H3,(H2,9,10,11,12)
InChIKeyJZDWKYCFOLLTGJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.76
Rot. Bonds2

About 2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one

2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 67282595) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID67282595
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one
SMILESC=CC(C)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H10N2O2/c1-3-5(2)8-9-6(11)4-7(12)10-8/h3-5H,1H2,2H3,(H2,9,10,11,12)
InChIKeyJZDWKYCFOLLTGJ-UHFFFAOYSA-N
XLogP0.76
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Propylpyrimidine-4,6-diol
CID 12280642
AC1Ldwnn
CID 676463
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
2-Tert-butyl-4,6-dihydroxypyrimidine
CID 817310
2-Isopropyl-5-methyl-4,6-pyrimidinediol
CID 10171269
2-Butyl-6-hydroxypyrimidin-4(1H)-one
CID 12280643
2-(Butan-2-yl)-6-hydroxypyrimidin-4(3H)-one
CID 12320326
6-Hydroxy-2-isobutylpyrimidin-4(3H)-one
CID 12320327
5-Allyl-2-methyl-4,6-pyrimidinediol
CID 13070836
2-Cyclopropylpyrimidine-4,6-diol
CID 13772195
6-Methoxy-2-(propan-2-yl)pyrimidin-4(3H)-one
CID 23338958
4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one
CID 66915600

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one (CID 67282595) is 2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one is C=CC(C)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is JZDWKYCFOLLTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-5(2)8-9-6(11)4-7(12)10-8/h3-5H,1H2,2H3,(H2,9,10,11,12).
What are the key properties of 2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one?
2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 166.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 67282595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).