10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide

C11H15N3O3 — CID 143469164

IUPAC10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide
SMILESCC1(C)COCCn2c1nc(C(N)=O)cc2=O
InChIInChI=1S/C11H15N3O3/c1-11(2)6-17-4-3-14-8(15)5-7(9(12)16)13-10(11)14/h5H,3-4,6H2,1-2H3,(H2,12,16)
InChIKeyAYMSJCZYCRWWKI-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.35
Rot. Bonds1

About 10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide

10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide (PubChem CID 143469164) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide.

Molecular Properties

Compound Name10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide
PubChem CID143469164
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide
SMILESCC1(C)COCCn2c1nc(C(N)=O)cc2=O
InChIInChI=1S/C11H15N3O3/c1-11(2)6-17-4-3-14-8(15)5-7(9(12)16)13-10(11)14/h5H,3-4,6H2,1-2H3,(H2,12,16)
InChIKeyAYMSJCZYCRWWKI-UHFFFAOYSA-N
XLogP-0.35
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 ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide with MolForge

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Related Compounds

6,7,9,10-tetrahydro-4H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 69400721
9,9-Dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90770449
10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one
CID 141178210
3-hydroxy-10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 154364058
10,10-dimethyl-4-oxo-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide
CID 154458513
4-Oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 154512106
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 10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide?
The IUPAC name of 10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide (CID 143469164) is 10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide.
What is the SMILES notation for 10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide?
The canonical SMILES for 10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide is CC1(C)COCCn2c1nc(C(N)=O)cc2=O.
What is the InChIKey of 10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide?
The InChIKey is AYMSJCZYCRWWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2)6-17-4-3-14-8(15)5-7(9(12)16)13-10(11)14/h5H,3-4,6H2,1-2H3,(H2,12,16).
What are the key properties of 10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide?
10,10-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.35, 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-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-2-carboxamide is sourced from PubChem (CID 143469164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).