methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate

C13H18N2O4 — CID 90687250

IUPACmethyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1C)C(C)COCC2C
InChIInChI=1S/C13H18N2O4/c1-7-5-19-6-8(2)15-11(7)14-10(13(17)18-4)9(3)12(15)16/h7-8H,5-6H2,1-4H3
InChIKeyCAMMXMMLLIIZHP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.03
Rot. Bonds1

About methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate

methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate (PubChem CID 90687250) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate
PubChem CID90687250
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1C)C(C)COCC2C
InChIInChI=1S/C13H18N2O4/c1-7-5-19-6-8(2)15-11(7)14-10(13(17)18-4)9(3)12(15)16/h7-8H,5-6H2,1-4H3
InChIKeyCAMMXMMLLIIZHP-UHFFFAOYSA-N
XLogP1.03
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate with MolForge

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Related Compounds

Methyl 3-hydroxy-4-oxo-6,7,9,10-tetrahydro-4H-pyrimido[1,2-d][1,4]oxazepine-2-carboxylate
CID 57905686
Methyl 3-hydroxy-10-methyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate
CID 57905689
Methyl 10-(dimethylamino)-3-hydroxy-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate
CID 57905698
ethyl 3-hydroxy-10,10-dimethyl-4-oxo-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxylate
CID 58777385
Ethyl 3-hydroxy-10,10-dimethyl-4-oxo-6,7,9,10-tetrahydro-4H-pyrimido[1,2-d][1,4]oxazepine-2-carboxylate
CID 58877856
Ethyl 3-hydroxy-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate
CID 58877892
methyl 3-hydroxy-10,10-dimethyl-4-oxo-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxylate
CID 71133165
Methyl 4-oxo-3-propyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate
CID 91070308
Methyl 3-ethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate
CID 91152388

Frequently Asked Questions

What is the IUPAC name of methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate?
The IUPAC name of methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate (CID 90687250) is methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate.
What is the SMILES notation for methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate?
The canonical SMILES for methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate is COC(=O)c1nc2n(c(=O)c1C)C(C)COCC2C.
What is the InChIKey of methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate?
The InChIKey is CAMMXMMLLIIZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7-5-19-6-8(2)15-11(7)14-10(13(17)18-4)9(3)12(15)16/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate?
methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,6,10-trimethyl-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate is sourced from PubChem (CID 90687250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).