ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

C13H21N3O — CID 143923276

IUPACethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC.[H]/N=C1\CCCn2c1nc(C)c(CC)c2=O
InChIInChI=1S/C11H15N3O.C2H6/c1-3-8-7(2)13-10-9(12)5-4-6-14(10)11(8)15;1-2/h12H,3-6H2,1-2H3;1-2H3/b12-9+;
InChIKeyDMDZMOWNXMGEMH-NBYYMMLRSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds1

About ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 143923276) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID143923276
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Nameethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC.[H]/N=C1\CCCn2c1nc(C)c(CC)c2=O
InChIInChI=1S/C11H15N3O.C2H6/c1-3-8-7(2)13-10-9(12)5-4-6-14(10)11(8)15;1-2/h12H,3-6H2,1-2H3;1-2H3/b12-9+;
InChIKeyDMDZMOWNXMGEMH-NBYYMMLRSA-N
XLogP2.30
TPSA58.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (CID 143923276) is ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is CC.[H]/N=C1\CCCn2c1nc(C)c(CC)c2=O.
What is the InChIKey of ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DMDZMOWNXMGEMH-NBYYMMLRSA-N. The full InChI is InChI=1S/C11H15N3O.C2H6/c1-3-8-7(2)13-10-9(12)5-4-6-14(10)11(8)15;1-2/h12H,3-6H2,1-2H3;1-2H3/b12-9+;.
What are the key properties of ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 235.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 143923276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).