methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C16H18N4O6 — CID 66668109

IUPACmethyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(NC(C)=O)cc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C16H18N4O6/c1-9(21)17-11-7-10(19-3-5-26-6-4-19)8-20-14(11)18-12(16(24)25-2)13(22)15(20)23/h7-8,22H,3-6H2,1-2H3,(H,17,21)
InChIKeyPUYFKKIOFZHNSL-UHFFFAOYSA-N
MW362.34 g/mol
LogP-0.02
Rot. Bonds3

About methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 66668109) has the molecular formula C16H18N4O6 and a molecular weight of 362.34 g/mol. Its IUPAC name is methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID66668109
Molecular FormulaC16H18N4O6
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC Namemethyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(NC(C)=O)cc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C16H18N4O6/c1-9(21)17-11-7-10(19-3-5-26-6-4-19)8-20-14(11)18-12(16(24)25-2)13(22)15(20)23/h7-8,22H,3-6H2,1-2H3,(H,17,21)
InChIKeyPUYFKKIOFZHNSL-UHFFFAOYSA-N
XLogP-0.02
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 66668148
Methyl 3-hydroxy-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetate
CID 89675461
Methyl 3-hydroxy-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetate
CID 140611619
Methyl 3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxo-7-(4-propan-2-ylpiperazin-4-ium-1-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetate
CID 157591110
Methyl 3-hydroxy-9-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-7-(4-methylpiperazin-4-ium-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetate
CID 160679216
Methyl 3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 57494524
Methyl 3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 57855392
Methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101070
Methyl 3-hydroxy-9-iodo-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101075
Methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101105
Methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 59392923
Methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate
CID 66668149

Frequently Asked Questions

What is the IUPAC name of methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 66668109) is methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2c(NC(C)=O)cc(N3CCOCC3)cn2c(=O)c1O.
What is the InChIKey of methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is PUYFKKIOFZHNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O6/c1-9(21)17-11-7-10(19-3-5-26-6-4-19)8-20-14(11)18-12(16(24)25-2)13(22)15(20)23/h7-8,22H,3-6H2,1-2H3,(H,17,21).
What are the key properties of methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 362.34 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-acetamido-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 66668109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).