methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C18H19N3O5 — CID 2920287

IUPACmethyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1cccc(O)c1
InChIInChI=1S/C18H19N3O5/c1-9-12(17(24)26-4)13(10-6-5-7-11(22)8-10)14-15(19-9)20(2)18(25)21(3)16(14)23/h5-8,13,19,22H,1-4H3
InChIKeyMCGNDVWLPMCWNN-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.79
Rot. Bonds2

About methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 2920287) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID2920287
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Namemethyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1cccc(O)c1
InChIInChI=1S/C18H19N3O5/c1-9-12(17(24)26-4)13(10-6-5-7-11(22)8-10)14-15(19-9)20(2)18(25)21(3)16(14)23/h5-8,13,19,22H,1-4H3
InChIKeyMCGNDVWLPMCWNN-UHFFFAOYSA-N
XLogP0.79
TPSA102.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 2920287) is methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1cccc(O)c1.
What is the InChIKey of methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is MCGNDVWLPMCWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-9-12(17(24)26-4)13(10-6-5-7-11(22)8-10)14-15(19-9)20(2)18(25)21(3)16(14)23/h5-8,13,19,22H,1-4H3.
What are the key properties of methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 2920287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).