2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione

C11H14N2O2 — CID 123817490

IUPAC2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione
SMILESCc1nc2n(c(=O)c1C)CCC(=O)CC2
InChIInChI=1S/C11H14N2O2/c1-7-8(2)12-10-4-3-9(14)5-6-13(10)11(7)15/h3-6H2,1-2H3
InChIKeyQMXYYGUJMBEKAS-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.77
Rot. Bonds

About 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione

2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione (PubChem CID 123817490) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione.

Molecular Properties

Compound Name2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione
PubChem CID123817490
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione
SMILESCc1nc2n(c(=O)c1C)CCC(=O)CC2
InChIInChI=1S/C11H14N2O2/c1-7-8(2)12-10-4-3-9(14)5-6-13(10)11(7)15/h3-6H2,1-2H3
InChIKeyQMXYYGUJMBEKAS-UHFFFAOYSA-N
XLogP0.77
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione?
The IUPAC name of 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione (CID 123817490) is 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione.
What is the SMILES notation for 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione?
The canonical SMILES for 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione is Cc1nc2n(c(=O)c1C)CCC(=O)CC2.
What is the InChIKey of 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione?
The InChIKey is QMXYYGUJMBEKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-8(2)12-10-4-3-9(14)5-6-13(10)11(7)15/h3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione?
2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione has a molecular weight of 206.24 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-a]azepine-4,8-dione is sourced from PubChem (CID 123817490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).