3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one

C11H16N2O2 — CID 135461904

IUPAC3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
SMILESCCc1c(O)nc2n(c1=O)CCCCC2
InChIInChI=1S/C11H16N2O2/c1-2-8-10(14)12-9-6-4-3-5-7-13(9)11(8)15/h14H,2-7H2,1H3
InChIKeyOJQHDYQZIWYAKM-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.24
Rot. Bonds1

About 3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one

3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one (PubChem CID 135461904) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
PubChem CID135461904
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
SMILESCCc1c(O)nc2n(c1=O)CCCCC2
InChIInChI=1S/C11H16N2O2/c1-2-8-10(14)12-9-6-4-3-5-7-13(9)11(8)15/h14H,2-7H2,1H3
InChIKeyOJQHDYQZIWYAKM-UHFFFAOYSA-N
XLogP1.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one?
The IUPAC name of 3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one (CID 135461904) is 3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one.
What is the SMILES notation for 3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one?
The canonical SMILES for 3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one is CCc1c(O)nc2n(c1=O)CCCCC2.
What is the InChIKey of 3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one?
The InChIKey is OJQHDYQZIWYAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-8-10(14)12-9-6-4-3-5-7-13(9)11(8)15/h14H,2-7H2,1H3.
What are the key properties of 3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one?
3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one has a molecular weight of 208.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one is sourced from PubChem (CID 135461904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).