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

C9H11N5O2S — CID 66328549

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2nnsc2N)c(=O)[nH]c1=O
InChIInChI=1S/C9H11N5O2S/c1-2-5-3-14(9(16)11-8(5)15)4-6-7(10)17-13-12-6/h3H,2,4,10H2,1H3,(H,11,15,16)
InChIKeyUNHFSHDGQQLPKV-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.42
Rot. Bonds3

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

1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione (PubChem CID 66328549) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
PubChem CID66328549
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2nnsc2N)c(=O)[nH]c1=O
InChIInChI=1S/C9H11N5O2S/c1-2-5-3-14(9(16)11-8(5)15)4-6-7(10)17-13-12-6/h3H,2,4,10H2,1H3,(H,11,15,16)
InChIKeyUNHFSHDGQQLPKV-UHFFFAOYSA-N
XLogP-0.42
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione (CID 66328549) is 1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione is CCc1cn(Cc2nnsc2N)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is UNHFSHDGQQLPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-2-5-3-14(9(16)11-8(5)15)4-6-7(10)17-13-12-6/h3H,2,4,10H2,1H3,(H,11,15,16).
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione?
1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 253.29 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66328549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).