ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate

C10H12N2O5 — CID 54708344

IUPACethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC2
InChIInChI=1S/C10H12N2O5/c1-2-17-10(15)7-8(13)9(14)12-3-4-16-5-6(12)11-7/h13H,2-5H2,1H3
InChIKeyMXAFVUIRWYPPJW-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.34
Rot. Bonds2

About ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate

ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate (PubChem CID 54708344) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
PubChem CID54708344
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Nameethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC2
InChIInChI=1S/C10H12N2O5/c1-2-17-10(15)7-8(13)9(14)12-3-4-16-5-6(12)11-7/h13H,2-5H2,1H3
InChIKeyMXAFVUIRWYPPJW-UHFFFAOYSA-N
XLogP-0.34
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate with MolForge

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Related Compounds

3-Hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
CID 54708342
Ethyl 3-hydroxy-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708345
ethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708346
Ethyl 3-hydroxy-9-methyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708347
Ethyl 9,9-diethyl-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708348
ethyl 9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708349
Methyl 3-hydroxy-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708350
Ethyl 3-hydroxy-9-methyl-4,8-dioxo-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidine-2-carboxylate
CID 54725631
Methyl 3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 57494524
Methyl 3-hydroxy-4-oxo-6,7,9,10-tetrahydro-4H-pyrimido[1,2-d][1,4]oxazepine-2-carboxylate
CID 57905686
Methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101105
3-Methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
CID 58458931

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The IUPAC name of ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate (CID 54708344) is ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate is CCOC(=O)c1nc2n(c(=O)c1O)CCOC2.
What is the InChIKey of ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The InChIKey is MXAFVUIRWYPPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-2-17-10(15)7-8(13)9(14)12-3-4-16-5-6(12)11-7/h13H,2-5H2,1H3.
What are the key properties of ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate has a molecular weight of 240.21 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate is sourced from PubChem (CID 54708344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).