[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium

C17H25N4O3S+ — CID 8718402

IUPAC[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCCCn1c(N)c(C(=O)C[NH+](CC)Cc2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O3S/c1-4-8-21-15(18)14(16(23)19(3)17(21)24)13(22)11-20(5-2)10-12-7-6-9-25-12/h6-7,9H,4-5,8,10-11,18H2,1-3H3/p+1
InChIKeyZGXPGCOVTVQFPJ-UHFFFAOYSA-O
MW365.48 g/mol
LogP-0.11
Rot. Bonds8

About [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8718402) has the molecular formula C17H25N4O3S+ and a molecular weight of 365.48 g/mol. Its IUPAC name is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
PubChem CID8718402
Molecular FormulaC17H25N4O3S+
Molecular Weight365.48 g/mol
Exact Mass365.16
IUPAC Name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCCCn1c(N)c(C(=O)C[NH+](CC)Cc2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O3S/c1-4-8-21-15(18)14(16(23)19(3)17(21)24)13(22)11-20(5-2)10-12-7-6-9-25-12/h6-7,9H,4-5,8,10-11,18H2,1-3H3/p+1
InChIKeyZGXPGCOVTVQFPJ-UHFFFAOYSA-O
XLogP-0.11
TPSA91.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium 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 [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium (CID 8718402) is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium is CCCn1c(N)c(C(=O)C[NH+](CC)Cc2cccs2)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is ZGXPGCOVTVQFPJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24N4O3S/c1-4-8-21-15(18)14(16(23)19(3)17(21)24)13(22)11-20(5-2)10-12-7-6-9-25-12/h6-7,9H,4-5,8,10-11,18H2,1-3H3/p+1.
What are the key properties of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 365.48 g/mol, XLogP of -0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8718402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).