3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione

C10H13N5O2S — CID 63810563

IUPAC3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2nnsc2N)c1=O
InChIInChI=1S/C10H13N5O2S/c1-2-4-14-5-3-8(16)15(10(14)17)6-7-9(11)18-13-12-7/h3,5H,2,4,6,11H2,1H3
InChIKeyMXZDMQCOQBJLPR-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.10
Rot. Bonds4

About 3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione

3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63810563) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione
PubChem CID63810563
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2nnsc2N)c1=O
InChIInChI=1S/C10H13N5O2S/c1-2-4-14-5-3-8(16)15(10(14)17)6-7-9(11)18-13-12-7/h3,5H,2,4,6,11H2,1H3
InChIKeyMXZDMQCOQBJLPR-UHFFFAOYSA-N
XLogP-0.10
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-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 3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione (CID 63810563) is 3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2nnsc2N)c1=O.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is MXZDMQCOQBJLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-2-4-14-5-3-8(16)15(10(14)17)6-7-9(11)18-13-12-7/h3,5H,2,4,6,11H2,1H3.
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione?
3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 267.31 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63810563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).