10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide

C11H13N3O3 — CID 154458513

IUPAC10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide
SMILESCC1(C)OC=CCn2c1nc(C(N)=O)cc2=O
InChIInChI=1S/C11H13N3O3/c1-11(2)10-13-7(9(12)16)6-8(15)14(10)4-3-5-17-11/h3,5-6H,4H2,1-2H3,(H2,12,16)
InChIKeyCXKIFFLNEGHCNT-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.12
Rot. Bonds1

About 10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide

10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide (PubChem CID 154458513) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide.

Molecular Properties

Compound Name10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide
PubChem CID154458513
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide
SMILESCC1(C)OC=CCn2c1nc(C(N)=O)cc2=O
InChIInChI=1S/C11H13N3O3/c1-11(2)10-13-7(9(12)16)6-8(15)14(10)4-3-5-17-11/h3,5-6H,4H2,1-2H3,(H2,12,16)
InChIKeyCXKIFFLNEGHCNT-UHFFFAOYSA-N
XLogP0.12
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide?
The IUPAC name of 10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide (CID 154458513) is 10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide.
What is the SMILES notation for 10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide?
The canonical SMILES for 10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide is CC1(C)OC=CCn2c1nc(C(N)=O)cc2=O.
What is the InChIKey of 10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide?
The InChIKey is CXKIFFLNEGHCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-11(2)10-13-7(9(12)16)6-8(15)14(10)4-3-5-17-11/h3,5-6H,4H2,1-2H3,(H2,12,16).
What are the key properties of 10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide?
10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide is sourced from PubChem (CID 154458513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).