(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate

C17H16N2O5 — CID 42925806

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
SMILESCc1ccc2nc(COC(=O)c3cc(CO)oc3C)cc(=O)n2c1
InChIInChI=1S/C17H16N2O5/c1-10-3-4-15-18-12(5-16(21)19(15)7-10)9-23-17(22)14-6-13(8-20)24-11(14)2/h3-7,20H,8-9H2,1-2H3
InChIKeyWZLVTBUXEVBIPG-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.75
Rot. Bonds4

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate (PubChem CID 42925806) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
PubChem CID42925806
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
SMILESCc1ccc2nc(COC(=O)c3cc(CO)oc3C)cc(=O)n2c1
InChIInChI=1S/C17H16N2O5/c1-10-3-4-15-18-12(5-16(21)19(15)7-10)9-23-17(22)14-6-13(8-20)24-11(14)2/h3-7,20H,8-9H2,1-2H3
InChIKeyWZLVTBUXEVBIPG-UHFFFAOYSA-N
XLogP1.75
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate (CID 42925806) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate is Cc1ccc2nc(COC(=O)c3cc(CO)oc3C)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate?
The InChIKey is WZLVTBUXEVBIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-10-3-4-15-18-12(5-16(21)19(15)7-10)9-23-17(22)14-6-13(8-20)24-11(14)2/h3-7,20H,8-9H2,1-2H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate is sourced from PubChem (CID 42925806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).