[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate

C17H20N4O5 — CID 2112651

IUPAC[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate
SMILESCC(C)Cn1c(N)c(C(=O)COC(=O)c2ccncc2)c(=O)n(C)c1=O
InChIInChI=1S/C17H20N4O5/c1-10(2)8-21-14(18)13(15(23)20(3)17(21)25)12(22)9-26-16(24)11-4-6-19-7-5-11/h4-7,10H,8-9,18H2,1-3H3
InChIKeyBLUMILDWRQHCQT-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.22
Rot. Bonds6

About [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate

[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate (PubChem CID 2112651) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate
PubChem CID2112651
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate
SMILESCC(C)Cn1c(N)c(C(=O)COC(=O)c2ccncc2)c(=O)n(C)c1=O
InChIInChI=1S/C17H20N4O5/c1-10(2)8-21-14(18)13(15(23)20(3)17(21)25)12(22)9-26-16(24)11-4-6-19-7-5-11/h4-7,10H,8-9,18H2,1-3H3
InChIKeyBLUMILDWRQHCQT-UHFFFAOYSA-N
XLogP0.22
TPSA126.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2419067
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pyridine-2-carboxylate
CID 2344272
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 3302352
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2392142
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2417901
2-[6-Amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-chloropyridine-3-carboxylate
CID 2092417
2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate
CID 2476679
2-(6-Amino-2,4-dioxo-1-propyl-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoethyl 2-(methylsulfanyl)pyridine-3-carboxylate
CID 8765433
4-Pyridinecarboxylic acid, 2-oxopropyl ester
CID 129778279
(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl pyridine-4-carboxylate
CID 101583093
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 2352630
[2-(Benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate
CID 2416693

Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate?
The IUPAC name of [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate (CID 2112651) is [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate is CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccncc2)c(=O)n(C)c1=O.
What is the InChIKey of [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate?
The InChIKey is BLUMILDWRQHCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-10(2)8-21-14(18)13(15(23)20(3)17(21)25)12(22)9-26-16(24)11-4-6-19-7-5-11/h4-7,10H,8-9,18H2,1-3H3.
What are the key properties of [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate?
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pyridine-4-carboxylate is sourced from PubChem (CID 2112651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).