2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one

C10H9N3O2 — CID 135873141

IUPAC2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one
SMILESC=CCc1c(O)nc2ncccn2c1=O
InChIInChI=1S/C10H9N3O2/c1-2-4-7-8(14)12-10-11-5-3-6-13(10)9(7)15/h2-3,5-6,14H,1,4H2
InChIKeyUNBAMJYFERTDBL-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.52
Rot. Bonds2

About 2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one

2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one (PubChem CID 135873141) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one
PubChem CID135873141
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one
SMILESC=CCc1c(O)nc2ncccn2c1=O
InChIInChI=1S/C10H9N3O2/c1-2-4-7-8(14)12-10-11-5-3-6-13(10)9(7)15/h2-3,5-6,14H,1,4H2
InChIKeyUNBAMJYFERTDBL-UHFFFAOYSA-N
XLogP0.52
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one (CID 135873141) is 2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one is C=CCc1c(O)nc2ncccn2c1=O.
What is the InChIKey of 2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is UNBAMJYFERTDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-2-4-7-8(14)12-10-11-5-3-6-13(10)9(7)15/h2-3,5-6,14H,1,4H2.
What are the key properties of 2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one?
2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 203.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135873141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).