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

C7H8N2O2 — CID 169452864

IUPAC5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1C=CCO
InChIInChI=1S/C7H8N2O2/c10-3-1-2-6-4-8-5-9-7(6)11/h1-2,4-5,10H,3H2,(H,8,9,11)
InChIKeyPTILQLLDSMOHAA-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.22
Rot. Bonds2

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

5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one (PubChem CID 169452864) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one
PubChem CID169452864
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1C=CCO
InChIInChI=1S/C7H8N2O2/c10-3-1-2-6-4-8-5-9-7(6)11/h1-2,4-5,10H,3H2,(H,8,9,11)
InChIKeyPTILQLLDSMOHAA-UHFFFAOYSA-N
XLogP-0.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one (CID 169452864) is 5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one is O=c1[nH]cncc1C=CCO.
What is the InChIKey of 5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one?
The InChIKey is PTILQLLDSMOHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-3-1-2-6-4-8-5-9-7(6)11/h1-2,4-5,10H,3H2,(H,8,9,11).
What are the key properties of 5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one?
5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one has a molecular weight of 152.15 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 169452864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).