6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione

C15H20N4O3S — CID 17470033

IUPAC6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione
SMILESCC(c1cccs1)N(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H20N4O3S/c1-9(11-6-5-7-23-11)17(2)8-10(20)12-13(16)18(3)15(22)19(4)14(12)21/h5-7,9H,8,16H2,1-4H3
InChIKeyARUVLAUUASCJAT-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.60
Rot. Bonds5

About 6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione (PubChem CID 17470033) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione
PubChem CID17470033
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione
SMILESCC(c1cccs1)N(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H20N4O3S/c1-9(11-6-5-7-23-11)17(2)8-10(20)12-13(16)18(3)15(22)19(4)14(12)21/h5-7,9H,8,16H2,1-4H3
InChIKeyARUVLAUUASCJAT-UHFFFAOYSA-N
XLogP0.60
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione (CID 17470033) is 6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione is CC(c1cccs1)N(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione?
The InChIKey is ARUVLAUUASCJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-9(11-6-5-7-23-11)17(2)8-10(20)12-13(16)18(3)15(22)19(4)14(12)21/h5-7,9H,8,16H2,1-4H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione has a molecular weight of 336.42 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 17470033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).