6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione

C14H19N5O3S — CID 17469430

IUPAC6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCCCn1ccnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N5O3S/c1-4-6-19-7-5-16-13(19)23-8-9(20)10-11(15)17(2)14(22)18(3)12(10)21/h5,7H,4,6,8,15H2,1-3H3
InChIKeyLFNPQAFBYQBPJY-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.25
Rot. Bonds6

About 6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 17469430) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID17469430
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCCCn1ccnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N5O3S/c1-4-6-19-7-5-16-13(19)23-8-9(20)10-11(15)17(2)14(22)18(3)12(10)21/h5,7H,4,6,8,15H2,1-3H3
InChIKeyLFNPQAFBYQBPJY-UHFFFAOYSA-N
XLogP0.25
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-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-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione (CID 17469430) is 6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione is CCCn1ccnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is LFNPQAFBYQBPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-4-6-19-7-5-16-13(19)23-8-9(20)10-11(15)17(2)14(22)18(3)12(10)21/h5,7H,4,6,8,15H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 337.41 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 17469430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).