methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate

C22H30N6O4S — CID 88975893

IUPACmethyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate
SMILES[H]/N=C(\SC)c1nc2c(N3CCN(C)C3=O)cc(N3CCOCC3)cn2c(=O)c1OCCCC
InChIInChI=1S/C22H30N6O4S/c1-4-5-10-32-18-17(19(23)33-3)24-20-16(27-7-6-25(2)22(27)30)13-15(14-28(20)21(18)29)26-8-11-31-12-9-26/h13-14,23H,4-12H2,1-3H3/b23-19-
InChIKeyIFABXMRIDARCHM-NMWGTECJSA-N
MW474.59 g/mol
LogP2.27
Rot. Bonds7

About methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate

methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate (PubChem CID 88975893) has the molecular formula C22H30N6O4S and a molecular weight of 474.59 g/mol. Its IUPAC name is methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate.

Molecular Properties

Compound Namemethyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate
PubChem CID88975893
Molecular FormulaC22H30N6O4S
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC Namemethyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate
SMILES[H]/N=C(\SC)c1nc2c(N3CCN(C)C3=O)cc(N3CCOCC3)cn2c(=O)c1OCCCC
InChIInChI=1S/C22H30N6O4S/c1-4-5-10-32-18-17(19(23)33-3)24-20-16(27-7-6-25(2)22(27)30)13-15(14-28(20)21(18)29)26-8-11-31-12-9-26/h13-14,23H,4-12H2,1-3H3/b23-19-
InChIKeyIFABXMRIDARCHM-NMWGTECJSA-N
XLogP2.27
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate?
The IUPAC name of methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate (CID 88975893) is methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate.
What is the SMILES notation for methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate?
The canonical SMILES for methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate is [H]/N=C(\SC)c1nc2c(N3CCN(C)C3=O)cc(N3CCOCC3)cn2c(=O)c1OCCCC.
What is the InChIKey of methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate?
The InChIKey is IFABXMRIDARCHM-NMWGTECJSA-N. The full InChI is InChI=1S/C22H30N6O4S/c1-4-5-10-32-18-17(19(23)33-3)24-20-16(27-7-6-25(2)22(27)30)13-15(14-28(20)21(18)29)26-8-11-31-12-9-26/h13-14,23H,4-12H2,1-3H3/b23-19-.
What are the key properties of methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate?
methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate has a molecular weight of 474.59 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate is sourced from PubChem (CID 88975893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).