methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate

C11H13N3O3 — CID 142502746

IUPACmethyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cnc2c(c1)NC(=O)N(C)C2C
InChIInChI=1S/C11H13N3O3/c1-6-9-8(13-11(16)14(6)2)4-7(5-12-9)10(15)17-3/h4-6H,1-3H3,(H,13,16)
InChIKeyWACSWYAITUYKKQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.41
Rot. Bonds1

About methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate

methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate (PubChem CID 142502746) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate
PubChem CID142502746
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Namemethyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cnc2c(c1)NC(=O)N(C)C2C
InChIInChI=1S/C11H13N3O3/c1-6-9-8(13-11(16)14(6)2)4-7(5-12-9)10(15)17-3/h4-6H,1-3H3,(H,13,16)
InChIKeyWACSWYAITUYKKQ-UHFFFAOYSA-N
XLogP1.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate
CID 58324480
methyl (7S)-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxylate
CID 118274912
methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate
CID 91827961
methyl 6-oxo-1H-pyridazine-4-carboxylate
CID 53249880
methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
CID 134206230
methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate
CID 58208024
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 71433321
methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate
CID 83834963
methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 53412446
methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate
CID 58066007
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
CID 170617619

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate (CID 142502746) is methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate is COC(=O)c1cnc2c(c1)NC(=O)N(C)C2C.
What is the InChIKey of methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate?
The InChIKey is WACSWYAITUYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-9-8(13-11(16)14(6)2)4-7(5-12-9)10(15)17-3/h4-6H,1-3H3,(H,13,16).
What are the key properties of methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate?
methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 142502746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).