ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate

C9H10N4O4 — CID 12569380

IUPACethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate
SMILESCCOC(=O)C1=Nc2c(nc(N)[nH]c2=O)OC1
InChIInChI=1S/C9H10N4O4/c1-2-16-8(15)4-3-17-7-5(11-4)6(14)12-9(10)13-7/h2-3H2,1H3,(H3,10,12,13,14)
InChIKeyZAIZNXPPNWJDSC-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.62
Rot. Bonds2

About ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate

ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate (PubChem CID 12569380) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate
PubChem CID12569380
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Nameethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate
SMILESCCOC(=O)C1=Nc2c(nc(N)[nH]c2=O)OC1
InChIInChI=1S/C9H10N4O4/c1-2-16-8(15)4-3-17-7-5(11-4)6(14)12-9(10)13-7/h2-3H2,1H3,(H3,10,12,13,14)
InChIKeyZAIZNXPPNWJDSC-UHFFFAOYSA-N
XLogP-0.62
TPSA119.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate
CID 118369795
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CID 135473622
ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136655437
ethyl 2-sulfanylidene-1,5-dihydroimidazole-4-carboxylate
CID 97050355
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5,5-bis(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylate
CID 15134949
2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one
CID 135420615
ethyl 5-amino-1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxylate
CID 135912919
ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate
CID 137290037
ethyl 2-methyl-3-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylate
CID 123601285
ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate
CID 66685727
ethyl 2,3-dihydro-1,3-oxazole-5-carboxylate
CID 167441469

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate?
The IUPAC name of ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate (CID 12569380) is ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate?
The canonical SMILES for ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate is CCOC(=O)C1=Nc2c(nc(N)[nH]c2=O)OC1.
What is the InChIKey of ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate?
The InChIKey is ZAIZNXPPNWJDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c1-2-16-8(15)4-3-17-7-5(11-4)6(14)12-9(10)13-7/h2-3H2,1H3,(H3,10,12,13,14).
What are the key properties of ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate?
ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate has a molecular weight of 238.20 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate is sourced from PubChem (CID 12569380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).