ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate

C19H20N4O2 — CID 56695854

IUPACethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate
SMILESCCOC(=O)c1c2ncnc(NCc3ccccc3)c2c2n1CCC2
InChIInChI=1S/C19H20N4O2/c1-2-25-19(24)17-16-15(14-9-6-10-23(14)17)18(22-12-21-16)20-11-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3,(H,20,21,22)
InChIKeyUGVMFLAOOUMWIS-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.17
Rot. Bonds5

About ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate

ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate (PubChem CID 56695854) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate
PubChem CID56695854
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Nameethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate
SMILESCCOC(=O)c1c2ncnc(NCc3ccccc3)c2c2n1CCC2
InChIInChI=1S/C19H20N4O2/c1-2-25-19(24)17-16-15(14-9-6-10-23(14)17)18(22-12-21-16)20-11-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3,(H,20,21,22)
InChIKeyUGVMFLAOOUMWIS-UHFFFAOYSA-N
XLogP3.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924930
ethyl 2-[6-(benzylamino)purin-9-yl]acetate
CID 172815770
diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate
CID 15404215
ethyl 6-(benzylamino)-7H-purine-8-carboxylate
CID 89439448
ethyl 3-(benzylamino)-5-methyl-1H-pyrazole-4-carboxylate
CID 852511
ethyl 2-phenyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]pyrimidine-5-carboxylate
CID 108775013
ethyl 3-benzyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]imidazole-4-carboxylate
CID 59517463
ethyl 4-(2-phenylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947898
ethyl 4-(benzylamino)-8-hydroxy-7-oxopyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-(benzylamino)-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 158099982
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 4-[[3-(trifluoromethyl)phenyl]methylamino]thieno[2,3-d]pyrimidine-5-carboxylate
CID 84556426

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate?
The IUPAC name of ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate (CID 56695854) is ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate.
What is the SMILES notation for ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate?
The canonical SMILES for ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate is CCOC(=O)c1c2ncnc(NCc3ccccc3)c2c2n1CCC2.
What is the InChIKey of ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate?
The InChIKey is UGVMFLAOOUMWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-25-19(24)17-16-15(14-9-6-10-23(14)17)18(22-12-21-16)20-11-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3,(H,20,21,22).
What are the key properties of ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate?
ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(benzylamino)-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carboxylate is sourced from PubChem (CID 56695854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).