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

C13H18N2O5 — CID 54708346

IUPACethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC2C(C)C
InChIInChI=1S/C13H18N2O5/c1-4-19-13(18)8-9(16)12(17)15-5-6-20-10(7(2)3)11(15)14-8/h7,10,16H,4-6H2,1-3H3
InChIKeyHKFOYMLNILWDLJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.85
Rot. Bonds3

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

ethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate (PubChem CID 54708346) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
PubChem CID54708346
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Nameethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1O)CCOC2C(C)C
InChIInChI=1S/C13H18N2O5/c1-4-19-13(18)8-9(16)12(17)15-5-6-20-10(7(2)3)11(15)14-8/h7,10,16H,4-6H2,1-3H3
InChIKeyHKFOYMLNILWDLJ-UHFFFAOYSA-N
XLogP0.85
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 8-(aminomethyl)-3-hydroxy-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxylate
CID 66595240
ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136655437
ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate
CID 54691437
ethyl 5-hydroxy-1-methyl-6-oxo-2-(1-oxothiazinan-2-yl)pyrimidine-4-carboxylate
CID 142924327
ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride
CID 177302939
ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate
CID 168887303
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
1-O'-benzyl 2-O-ethyl 3-hydroxy-4-oxospiro[6,7,8,9-tetrahydropyrimido[1,2-a]azepine-10,4'-piperidine]-1',2-dicarboxylate
CID 59022456
ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 134863844
ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
CID 107376454
ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660628
ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105071

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The IUPAC name of ethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate (CID 54708346) is ethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate is CCOC(=O)c1nc2n(c(=O)c1O)CCOC2C(C)C.
What is the InChIKey of ethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The InChIKey is HKFOYMLNILWDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-4-19-13(18)8-9(16)12(17)15-5-6-20-10(7(2)3)11(15)14-8/h7,10,16H,4-6H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate?
ethyl 3-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 0.85, 3 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-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylate is sourced from PubChem (CID 54708346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).