1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione

C9H11N5O2S — CID 62209069

IUPAC1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
SMILESCCNc1snnc1Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H11N5O2S/c1-2-10-8-6(12-13-17-8)5-14-4-3-7(15)11-9(14)16/h3-4,10H,2,5H2,1H3,(H,11,15,16)
InChIKeyWRDXPXVDJZXVGB-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.13
Rot. Bonds4

About 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione

1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione (PubChem CID 62209069) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
PubChem CID62209069
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
SMILESCCNc1snnc1Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H11N5O2S/c1-2-10-8-6(12-13-17-8)5-14-4-3-7(15)11-9(14)16/h3-4,10H,2,5H2,1H3,(H,11,15,16)
InChIKeyWRDXPXVDJZXVGB-UHFFFAOYSA-N
XLogP-0.13
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(ethylamino)thiadiazol-4-yl]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-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione (CID 62209069) is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione is CCNc1snnc1Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is WRDXPXVDJZXVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-2-10-8-6(12-13-17-8)5-14-4-3-7(15)11-9(14)16/h3-4,10H,2,5H2,1H3,(H,11,15,16).
What are the key properties of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione?
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 253.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62209069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).