4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one

C7H8N2O3 — CID 169453027

IUPAC4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1C=CCO
InChIInChI=1S/C7H8N2O3/c10-3-1-2-5-6(11)8-4-9-7(5)12/h1-2,4,10H,3H2,(H2,8,9,11,12)
InChIKeyVXCOGVWKMRMIRT-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.52
Rot. Bonds2

About 4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one

4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one (PubChem CID 169453027) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one
PubChem CID169453027
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1C=CCO
InChIInChI=1S/C7H8N2O3/c10-3-1-2-5-6(11)8-4-9-7(5)12/h1-2,4,10H,3H2,(H2,8,9,11,12)
InChIKeyVXCOGVWKMRMIRT-UHFFFAOYSA-N
XLogP-0.52
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one (CID 169453027) is 4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1C=CCO.
What is the InChIKey of 4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one?
The InChIKey is VXCOGVWKMRMIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-3-1-2-5-6(11)8-4-9-7(5)12/h1-2,4,10H,3H2,(H2,8,9,11,12).
What are the key properties of 4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one?
4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one has a molecular weight of 168.15 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 169453027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).