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

C15H21N3O2S — CID 80526557

IUPAC1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione
SMILESCn1c(CNCC(C)(C)c2cccs2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H21N3O2S/c1-15(2,12-6-5-7-21-12)10-16-9-11-8-13(19)18(4)14(20)17(11)3/h5-8,16H,9-10H2,1-4H3
InChIKeyIBGGVXUPTQCKAY-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.21
Rot. Bonds5

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

1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione (PubChem CID 80526557) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione
PubChem CID80526557
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione
SMILESCn1c(CNCC(C)(C)c2cccs2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H21N3O2S/c1-15(2,12-6-5-7-21-12)10-16-9-11-8-13(19)18(4)14(20)17(11)3/h5-8,16H,9-10H2,1-4H3
InChIKeyIBGGVXUPTQCKAY-UHFFFAOYSA-N
XLogP1.21
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]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 1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione (CID 80526557) is 1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione is Cn1c(CNCC(C)(C)c2cccs2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione?
The InChIKey is IBGGVXUPTQCKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2,12-6-5-7-21-12)10-16-9-11-8-13(19)18(4)14(20)17(11)3/h5-8,16H,9-10H2,1-4H3.
What are the key properties of 1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione has a molecular weight of 307.42 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80526557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).