methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

C12H13N3O5 — CID 822286

IUPACmethyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(OC)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C12H13N3O5/c1-14-9-8(10(16)15(2)12(14)18)6(11(17)20-4)5-7(13-9)19-3/h5H,1-4H3
InChIKeyYKBLRCBZCRPIPT-UHFFFAOYSA-N
MW279.25 g/mol
LogP-0.57
Rot. Bonds2

About methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 822286) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID822286
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Namemethyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(OC)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C12H13N3O5/c1-14-9-8(10(16)15(2)12(14)18)6(11(17)20-4)5-7(13-9)19-3/h5H,1-4H3
InChIKeyYKBLRCBZCRPIPT-UHFFFAOYSA-N
XLogP-0.57
TPSA92.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 822286) is methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1cc(OC)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is YKBLRCBZCRPIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-14-9-8(10(16)15(2)12(14)18)6(11(17)20-4)5-7(13-9)19-3/h5H,1-4H3.
What are the key properties of methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 279.25 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 822286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).