ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate

C25H33N3O3 — CID 10669982

IUPACethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)c2c(C)c(N(CC)CC)c(C)c(=O)n2C1c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-8-27(9-2)21-16(4)23-26(7)18(6)20(25(30)31-10-3)22(19-14-12-11-13-15-19)28(23)24(29)17(21)5/h11-15,22H,8-10H2,1-7H3
InChIKeyAQERYCLADIGJRH-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.19
Rot. Bonds6

About ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate

ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate (PubChem CID 10669982) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
PubChem CID10669982
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Nameethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)c2c(C)c(N(CC)CC)c(C)c(=O)n2C1c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-8-27(9-2)21-16(4)23-26(7)18(6)20(25(30)31-10-3)22(19-14-12-11-13-15-19)28(23)24(29)17(21)5/h11-15,22H,8-10H2,1-7H3
InChIKeyAQERYCLADIGJRH-UHFFFAOYSA-N
XLogP4.19
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate with MolForge

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Related Compounds

ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
ethyl (4R)-3-acetyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate
CID 7003889
benzyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
CID 2794054
ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate
CID 174676086
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
2,2-dimethylpropanoyloxymethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
CID 15467041
ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 4996263
ethyl (6S)-3-butyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 92970738
4-O-ethyl 8-O-methyl (1S,5R,8S,9S,13R)-2,3,11-trimethyl-7,10,12-trioxo-5-phenyl-14-oxa-2,6,11-triazatetracyclo[6.5.1.01,6.09,13]tetradec-3-ene-4,8-dicarboxylate
CID 10719625
ethyl (6R)-4-(diethylaminomethyl)-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 671870
ethyl 4-(3-bromophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CID 42914516
ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate
CID 45064251

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate (CID 10669982) is ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate is CCOC(=O)C1=C(C)N(C)c2c(C)c(N(CC)CC)c(C)c(=O)n2C1c1ccccc1.
What is the InChIKey of ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is AQERYCLADIGJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-8-27(9-2)21-16(4)23-26(7)18(6)20(25(30)31-10-3)22(19-14-12-11-13-15-19)28(23)24(29)17(21)5/h11-15,22H,8-10H2,1-7H3.
What are the key properties of ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate?
ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate has a molecular weight of 423.56 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 10669982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).