4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide

C9H11N3O3 — CID 154512106

IUPAC4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide
SMILESNC(=O)c1cc(=O)n2c(n1)CCOCC2
InChIInChI=1S/C9H11N3O3/c10-9(14)6-5-8(13)12-2-4-15-3-1-7(12)11-6/h5H,1-4H2,(H2,10,14)
InChIKeyIQDGUZLITMSTPI-UHFFFAOYSA-N
MW209.20 g/mol
LogP-1.09
Rot. Bonds1

About 4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide

4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide (PubChem CID 154512106) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide
PubChem CID154512106
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide
SMILESNC(=O)c1cc(=O)n2c(n1)CCOCC2
InChIInChI=1S/C9H11N3O3/c10-9(14)6-5-8(13)12-2-4-15-3-1-7(12)11-6/h5H,1-4H2,(H2,10,14)
InChIKeyIQDGUZLITMSTPI-UHFFFAOYSA-N
XLogP-1.09
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7,9,10-tetrahydro-4H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 69400721
4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 91135937
1-Methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
CID 141087183
10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 143469164
1-Methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide
CID 150229737
6,7,9,10-Tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
CID 154460624
3,6-Dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 159176535
2-cyclopropyl-4-(1,4-oxazepane-4-carbonyl)-1H-pyrimidin-6-one
CID 154865555

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide?
The IUPAC name of 4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide (CID 154512106) is 4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide.
What is the SMILES notation for 4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide?
The canonical SMILES for 4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide is NC(=O)c1cc(=O)n2c(n1)CCOCC2.
What is the InChIKey of 4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide?
The InChIKey is IQDGUZLITMSTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-9(14)6-5-8(13)12-2-4-15-3-1-7(12)11-6/h5H,1-4H2,(H2,10,14).
What are the key properties of 4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide?
4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide has a molecular weight of 209.20 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide is sourced from PubChem (CID 154512106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).