ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate

C11H13N3O5 — CID 54725631

IUPACethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCC(=O)N2C
InChIInChI=1S/C11H13N3O5/c1-3-19-10(18)7-8(16)9(17)14-5-4-6(15)13(2)11(14)12-7/h16H,3-5H2,1-2H3
InChIKeyHSUMGASXJIVYRU-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.51
Rot. Bonds2

About ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate

ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 54725631) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate
PubChem CID54725631
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Nameethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCC(=O)N2C
InChIInChI=1S/C11H13N3O5/c1-3-19-10(18)7-8(16)9(17)14-5-4-6(15)13(2)11(14)12-7/h16H,3-5H2,1-2H3
InChIKeyHSUMGASXJIVYRU-UHFFFAOYSA-N
XLogP-0.51
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate (CID 54725631) is ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1nc2n(c(=O)c1O)CCC(=O)N2C.
What is the InChIKey of ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is HSUMGASXJIVYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-3-19-10(18)7-8(16)9(17)14-5-4-6(15)13(2)11(14)12-7/h16H,3-5H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate?
ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 267.24 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 54725631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).