ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate

C15H15N3O4 — CID 138402950

IUPACethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)C1c2c[nH]c(=O)n2C(=O)NC1c1ccccc1
InChIInChI=1S/C15H15N3O4/c1-2-22-13(19)11-10-8-16-14(20)18(10)15(21)17-12(11)9-6-4-3-5-7-9/h3-8,11-12H,2H2,1H3,(H,16,20)(H,17,21)
InChIKeySSIQBEWSKABXBA-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.14
Rot. Bonds3

About ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate

ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate (PubChem CID 138402950) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate
PubChem CID138402950
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Nameethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)C1c2c[nH]c(=O)n2C(=O)NC1c1ccccc1
InChIInChI=1S/C15H15N3O4/c1-2-22-13(19)11-10-8-16-14(20)18(10)15(21)17-12(11)9-6-4-3-5-7-9/h3-8,11-12H,2H2,1H3,(H,16,20)(H,17,21)
InChIKeySSIQBEWSKABXBA-UHFFFAOYSA-N
XLogP1.14
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate with MolForge

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Related Compounds

ethyl (3S,4S,5S)-2-oxo-4,5-diphenylpyrrolidine-3-carboxylate
CID 129438808
diethyl (2R,3S,5R,6S)-4-oxo-2,6-diphenylpiperidine-3,5-dicarboxylate
CID 100887053
ethyl 2-oxo-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91071103
ethyl (2S,3R)-2-phenylpyrrolidine-3-carboxylate
CID 96575888
trans-diethyl (1S,3S)-4,6-dioxo-2-phenylcyclohexane-1,3-dicarboxylate
CID 723569
ethyl (3S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 118038022
ethyl (5S,6S)-2-methyl-7-oxo-3,5-diphenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135896471
ethyl (4S,5R,6R)-4-(difluoromethyl)-4-hydroxy-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate
CID 1491329
ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate
CID 14031444
ethyl (2S,3R)-1-benzyl-4-oxo-2-phenylpyrrolidine-3-carboxylate
CID 101118480
methyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
CID 73324817
ethyl (2S,3R)-1-methyl-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 6997580

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate (CID 138402950) is ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate is CCOC(=O)C1c2c[nH]c(=O)n2C(=O)NC1c1ccccc1.
What is the InChIKey of ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate?
The InChIKey is SSIQBEWSKABXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-22-13(19)11-10-8-16-14(20)18(10)15(21)17-12(11)9-6-4-3-5-7-9/h3-8,11-12H,2H2,1H3,(H,16,20)(H,17,21).
What are the key properties of ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate?
ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dioxo-7-phenyl-2,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate is sourced from PubChem (CID 138402950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).