3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide

C11H15N3O3 — CID 159176535

IUPAC3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide
SMILESCc1c(C(N)=O)nc2n(c1=O)C(C)COCC2
InChIInChI=1S/C11H15N3O3/c1-6-5-17-4-3-8-13-9(10(12)15)7(2)11(16)14(6)8/h6H,3-5H2,1-2H3,(H2,12,15)
InChIKeyKMISUALZVHNQED-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.22
Rot. Bonds1

About 3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide

3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide (PubChem CID 159176535) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide
PubChem CID159176535
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide
SMILESCc1c(C(N)=O)nc2n(c1=O)C(C)COCC2
InChIInChI=1S/C11H15N3O3/c1-6-5-17-4-3-8-13-9(10(12)15)7(2)11(16)14(6)8/h6H,3-5H2,1-2H3,(H2,12,15)
InChIKeyKMISUALZVHNQED-UHFFFAOYSA-N
XLogP-0.22
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide with MolForge

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Related Compounds

6-Ethenyl-2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
CID 59271800
2,3-Dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
CID 91072743
10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 143469164
3,6-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 154307277
3-hydroxy-10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 154364058
4-Oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 154512106
6-Ethenyl-2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one;methane
CID 158217909

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide?
The IUPAC name of 3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide (CID 159176535) is 3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide is Cc1c(C(N)=O)nc2n(c1=O)C(C)COCC2.
What is the InChIKey of 3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide?
The InChIKey is KMISUALZVHNQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-5-17-4-3-8-13-9(10(12)15)7(2)11(16)14(6)8/h6H,3-5H2,1-2H3,(H2,12,15).
What are the key properties of 3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide?
3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide is sourced from PubChem (CID 159176535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).