1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione

C12H14N2O2S — CID 63810291

IUPAC1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2cccs2)c1=O
InChIInChI=1S/C12H14N2O2S/c1-2-6-13-7-5-11(15)14(12(13)16)9-10-4-3-8-17-10/h3-5,7-8H,2,6,9H2,1H3
InChIKeyRZTYRINVQYKGAB-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.53
Rot. Bonds4

About 1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione

1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63810291) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID63810291
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2cccs2)c1=O
InChIInChI=1S/C12H14N2O2S/c1-2-6-13-7-5-11(15)14(12(13)16)9-10-4-3-8-17-10/h3-5,7-8H,2,6,9H2,1H3
InChIKeyRZTYRINVQYKGAB-UHFFFAOYSA-N
XLogP1.53
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-propyl-3-(thiophen-2-ylmethyl)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

Related Compounds

3-[(3-bromothiophen-2-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 63801388
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione
CID 63811890
2-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
CID 63812547
3-[(2-amino-6-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63799793
1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63811395
3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
CID 63810122
3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione
CID 63799114
3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione
CID 55239012
3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione
CID 102940695
3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione
CID 65177778
3-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]pyridine-2-carbothioamide
CID 63801009

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione (CID 63810291) is 1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2cccs2)c1=O.
What is the InChIKey of 1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is RZTYRINVQYKGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-6-13-7-5-11(15)14(12(13)16)9-10-4-3-8-17-10/h3-5,7-8H,2,6,9H2,1H3.
What are the key properties of 1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione?
1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 250.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63810291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).