3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one

C14H15N3O2 — CID 135873142

IUPAC3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(C3C=CCCC3)c(O)nc2n1
InChIInChI=1S/C14H15N3O2/c1-9-7-8-17-13(19)11(10-5-3-2-4-6-10)12(18)16-14(17)15-9/h3,5,7-8,10,18H,2,4,6H2,1H3
InChIKeyHFFDCEGIZWMFHJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.93
Rot. Bonds1

About 3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one

3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one (PubChem CID 135873142) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one
PubChem CID135873142
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(C3C=CCCC3)c(O)nc2n1
InChIInChI=1S/C14H15N3O2/c1-9-7-8-17-13(19)11(10-5-3-2-4-6-10)12(18)16-14(17)15-9/h3,5,7-8,10,18H,2,4,6H2,1H3
InChIKeyHFFDCEGIZWMFHJ-UHFFFAOYSA-N
XLogP1.93
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.93
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 3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one (CID 135873142) is 3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)c(C3C=CCCC3)c(O)nc2n1.
What is the InChIKey of 3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is HFFDCEGIZWMFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-7-8-17-13(19)11(10-5-3-2-4-6-10)12(18)16-14(17)15-9/h3,5,7-8,10,18H,2,4,6H2,1H3.
What are the key properties of 3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one?
3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 257.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135873142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).