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

C11H16N2O — CID 121224809

IUPAC2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
SMILESCCc1cc(=O)n2c(n1)CCCCC2
InChIInChI=1S/C11H16N2O/c1-2-9-8-11(14)13-7-5-3-4-6-10(13)12-9/h8H,2-7H2,1H3
InChIKeyVXJCASDXQBLRNI-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.53
Rot. Bonds1

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

2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one (PubChem CID 121224809) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one.

Molecular Properties

Compound Name2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
PubChem CID121224809
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
SMILESCCc1cc(=O)n2c(n1)CCCCC2
InChIInChI=1S/C11H16N2O/c1-2-9-8-11(14)13-7-5-3-4-6-10(13)12-9/h8H,2-7H2,1H3
InChIKeyVXJCASDXQBLRNI-UHFFFAOYSA-N
XLogP1.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-7,8,9,10-tetrahydropyrimido[1,2-a]azepin-4(6H)-one
CID 718922
3-Ethyl-6-methyl-2-propylpyrimidin-4-one
CID 134868748
3-Ethyl-2-methyl-4-oxo-4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine
CID 13066356
2-tert-Butyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 13382495
3-Methyl-2,6-di(propan-2-yl)pyrimidin-4-one
CID 167239944
2-Ethyl-6-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 14274963
6-[2-(Azepan-1-yl)-2-oxoethyl]-2,3,5-trimethylpyrimidin-4-one
CID 91951723
(6R)-6-methyl-2-propyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 125449372
(6S)-6-methyl-2-propyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 125449381
(6R)-6-methyl-2-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 125449829
(6S)-6-methyl-2-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 125449830
2-Ethyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 125449930

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one?
The IUPAC name of 2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one (CID 121224809) is 2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one.
What is the SMILES notation for 2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one?
The canonical SMILES for 2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one is CCc1cc(=O)n2c(n1)CCCCC2.
What is the InChIKey of 2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one?
The InChIKey is VXJCASDXQBLRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-9-8-11(14)13-7-5-3-4-6-10(13)12-9/h8H,2-7H2,1H3.
What are the key properties of 2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one?
2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one is sourced from PubChem (CID 121224809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).