4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide

C8H9N3O3 — CID 91135937

IUPAC4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESNC(=O)c1cc(=O)n2c(n1)COCC2
InChIInChI=1S/C8H9N3O3/c9-8(13)5-3-7(12)11-1-2-14-4-6(11)10-5/h3H,1-2,4H2,(H2,9,13)
InChIKeyZYJZEBLGNQOZPV-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.13
Rot. Bonds1

About 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide

4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91135937) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID91135937
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESNC(=O)c1cc(=O)n2c(n1)COCC2
InChIInChI=1S/C8H9N3O3/c9-8(13)5-3-7(12)11-1-2-14-4-6(11)10-5/h3H,1-2,4H2,(H2,9,13)
InChIKeyZYJZEBLGNQOZPV-UHFFFAOYSA-N
XLogP-1.13
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyl-2-(morpholinomethyl)-4-pyrimidinol
CID 135408235
2-Methyl-6-(morpholinomethyl)-4-pyrimidinol
CID 135452238
9,9-Dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90770449
4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboperoxoic acid
CID 90856795
N,N-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90871963
4,6,7,9-Tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90903104
2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one
CID 140511865
1-Methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
CID 141087183
1-Methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide
CID 150229737
9-ethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 151334078
3,6-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 154307277
4-Oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 154512106

Frequently Asked Questions

What is the IUPAC name of 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 91135937) is 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide is NC(=O)c1cc(=O)n2c(n1)COCC2.
What is the InChIKey of 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is ZYJZEBLGNQOZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-8(13)5-3-7(12)11-1-2-14-4-6(11)10-5/h3H,1-2,4H2,(H2,9,13).
What are the key properties of 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 195.18 g/mol, XLogP of -1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91135937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).