ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate

C15H23N3O4 — CID 70970111

IUPACethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCCC1(N)CC(C)Cn2c1nc(C(=O)OCC)c(O)c2=O
InChIInChI=1S/C15H23N3O4/c1-4-6-15(16)7-9(3)8-18-12(20)11(19)10(17-14(15)18)13(21)22-5-2/h9,19H,4-8,16H2,1-3H3
InChIKeyKZIOVGSHVPKCBP-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.12
Rot. Bonds4

About ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate

ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 70970111) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID70970111
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nameethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCCC1(N)CC(C)Cn2c1nc(C(=O)OCC)c(O)c2=O
InChIInChI=1S/C15H23N3O4/c1-4-6-15(16)7-9(3)8-18-12(20)11(19)10(17-14(15)18)13(21)22-5-2/h9,19H,4-8,16H2,1-3H3
InChIKeyKZIOVGSHVPKCBP-UHFFFAOYSA-N
XLogP1.12
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate (CID 70970111) is ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate is CCCC1(N)CC(C)Cn2c1nc(C(=O)OCC)c(O)c2=O.
What is the InChIKey of ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is KZIOVGSHVPKCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-6-15(16)7-9(3)8-18-12(20)11(19)10(17-14(15)18)13(21)22-5-2/h9,19H,4-8,16H2,1-3H3.
What are the key properties of ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate?
ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 70970111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).