6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione

C17H25N5O3S — CID 36835630

IUPAC6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc(C)c1C
InChIInChI=1S/C17H25N5O3S/c1-6-7-8-22-11(3)10(2)19-16(22)26-9-12(23)13-14(18)20(4)17(25)21(5)15(13)24/h6-9,18H2,1-5H3
InChIKeyZBTXDDNWFAOJRG-UHFFFAOYSA-N
MW379.49 g/mol
LogP1.25
Rot. Bonds7

About 6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 36835630) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID36835630
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Name6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc(C)c1C
InChIInChI=1S/C17H25N5O3S/c1-6-7-8-22-11(3)10(2)19-16(22)26-9-12(23)13-14(18)20(4)17(25)21(5)15(13)24/h6-9,18H2,1-5H3
InChIKeyZBTXDDNWFAOJRG-UHFFFAOYSA-N
XLogP1.25
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione 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 6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 36835630) is 6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione is CCCCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc(C)c1C.
What is the InChIKey of 6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ZBTXDDNWFAOJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-6-7-8-22-11(3)10(2)19-16(22)26-9-12(23)13-14(18)20(4)17(25)21(5)15(13)24/h6-9,18H2,1-5H3.
What are the key properties of 6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 379.49 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 36835630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).