7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one

C12H15N3O4 — CID 82624852

IUPAC7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one
SMILESCOc1cc(OC)n2c(=O)c(CCO)c(C)nc2n1
InChIInChI=1S/C12H15N3O4/c1-7-8(4-5-16)11(17)15-10(19-3)6-9(18-2)14-12(15)13-7/h6,16H,4-5H2,1-3H3
InChIKeyGFEOBNXVDJMIPG-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.05
Rot. Bonds4

About 7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one

7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one (PubChem CID 82624852) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one
PubChem CID82624852
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one
SMILESCOc1cc(OC)n2c(=O)c(CCO)c(C)nc2n1
InChIInChI=1S/C12H15N3O4/c1-7-8(4-5-16)11(17)15-10(19-3)6-9(18-2)14-12(15)13-7/h6,16H,4-5H2,1-3H3
InChIKeyGFEOBNXVDJMIPG-UHFFFAOYSA-N
XLogP-0.05
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of 7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one (CID 82624852) is 7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one is COc1cc(OC)n2c(=O)c(CCO)c(C)nc2n1.
What is the InChIKey of 7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is GFEOBNXVDJMIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-8(4-5-16)11(17)15-10(19-3)6-9(18-2)14-12(15)13-7/h6,16H,4-5H2,1-3H3.
What are the key properties of 7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one?
7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 265.27 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-2,4-dimethoxy-8-methylpyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 82624852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).