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

C7H7N5O2S — CID 62209387

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESNc1snnc1Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H7N5O2S/c8-6-4(10-11-15-6)3-12-2-1-5(13)9-7(12)14/h1-2H,3,8H2,(H,9,13,14)
InChIKeyWIASBRAGTYQNPY-UHFFFAOYSA-N
MW225.23 g/mol
LogP-0.98
Rot. Bonds2

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

1-[(5-aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 62209387) has the molecular formula C7H7N5O2S and a molecular weight of 225.23 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID62209387
Molecular FormulaC7H7N5O2S
Molecular Weight225.23 g/mol
Exact Mass225.03
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESNc1snnc1Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H7N5O2S/c8-6-4(10-11-15-6)3-12-2-1-5(13)9-7(12)14/h1-2H,3,8H2,(H,9,13,14)
InChIKeyWIASBRAGTYQNPY-UHFFFAOYSA-N
XLogP-0.98
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 5-0.98
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]pyrimidine-2,4-dione?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione (CID 62209387) is 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione is Nc1snnc1Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is WIASBRAGTYQNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2S/c8-6-4(10-11-15-6)3-12-2-1-5(13)9-7(12)14/h1-2H,3,8H2,(H,9,13,14).
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
1-[(5-aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 225.23 g/mol, XLogP of -0.98, 2 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]pyrimidine-2,4-dione is sourced from PubChem (CID 62209387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).