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

C18H19N3O5 — CID 18442526

IUPACethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCC(=O)N2C
InChIInChI=1S/C18H19N3O5/c1-3-25-17(24)14-15(26-11-12-7-5-4-6-8-12)16(23)21-10-9-13(22)20(2)18(21)19-14/h4-8H,3,9-11H2,1-2H3
InChIKeyNCOIBMFSPGIGAR-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.37
Rot. Bonds5

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

ethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 18442526) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is ethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate
PubChem CID18442526
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Nameethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCC(=O)N2C
InChIInChI=1S/C18H19N3O5/c1-3-25-17(24)14-15(26-11-12-7-5-4-6-8-12)16(23)21-10-9-13(22)20(2)18(21)19-14/h4-8H,3,9-11H2,1-2H3
InChIKeyNCOIBMFSPGIGAR-UHFFFAOYSA-N
XLogP1.37
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate (CID 18442526) is ethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCC(=O)N2C.
What is the InChIKey of ethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is NCOIBMFSPGIGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-25-17(24)14-15(26-11-12-7-5-4-6-8-12)16(23)21-10-9-13(22)20(2)18(21)19-14/h4-8H,3,9-11H2,1-2H3.
What are the key properties of ethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate?
ethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-methyl-4,8-dioxo-3-phenylmethoxy-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 18442526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).