methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate

C15H17N3O5 — CID 10381261

IUPACmethyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(-c2cccnc2)n(CC(OC)OC)c1=O
InChIInChI=1S/C15H17N3O5/c1-21-12(22-2)9-18-13(10-5-4-6-16-7-10)17-8-11(14(18)19)15(20)23-3/h4-8,12H,9H2,1-3H3
InChIKeyBVEMVXIHWOQOCQ-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.71
Rot. Bonds6

About methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate

methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate (PubChem CID 10381261) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate
PubChem CID10381261
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Namemethyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(-c2cccnc2)n(CC(OC)OC)c1=O
InChIInChI=1S/C15H17N3O5/c1-21-12(22-2)9-18-13(10-5-4-6-16-7-10)17-8-11(14(18)19)15(20)23-3/h4-8,12H,9H2,1-3H3
InChIKeyBVEMVXIHWOQOCQ-UHFFFAOYSA-N
XLogP0.71
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(2,2-dimethoxyethyl)-2-oxo-6-pyridin-3-ylpyridine-3-carboxylate
CID 22405492
3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine
CID 44604866
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
2-(6-oxo-1-propyl-2-pyridin-3-ylpyrimidine-5-carbonyl)cyclohexane-1,3-dione
CID 123903190
methyl 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
CID 91672211
methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate
CID 117140299
1-(2,2-dimethoxyethyl)-6-oxo-2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrimidine-5-carbonyl azide
CID 10071928
ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592
methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317589
methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate
CID 117145201
1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 19695842
methyl 1-(2,2-dimethoxyethyl)-2-(2-methoxy-2-oxoethyl)-5-phenylpyrrole-3-carboxylate
CID 132821656

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate?
The IUPAC name of methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate (CID 10381261) is methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate is COC(=O)c1cnc(-c2cccnc2)n(CC(OC)OC)c1=O.
What is the InChIKey of methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate?
The InChIKey is BVEMVXIHWOQOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-21-12(22-2)9-18-13(10-5-4-6-16-7-10)17-8-11(14(18)19)15(20)23-3/h4-8,12H,9H2,1-3H3.
What are the key properties of methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate?
methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate has a molecular weight of 319.32 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-pyridin-3-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 10381261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).