3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one

C7H7N5OS — CID 63770615

IUPAC3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one
SMILESNc1snnc1Cn1cnccc1=O
InChIInChI=1S/C7H7N5OS/c8-7-5(10-11-14-7)3-12-4-9-2-1-6(12)13/h1-2,4H,3,8H2
InChIKeyPKBJKSLDINGDQK-UHFFFAOYSA-N
MW209.23 g/mol
LogP-0.27
Rot. Bonds2

About 3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one

3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 63770615) has the molecular formula C7H7N5OS and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one
PubChem CID63770615
Molecular FormulaC7H7N5OS
Molecular Weight209.23 g/mol
Exact Mass209.04
IUPAC Name3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one
SMILESNc1snnc1Cn1cnccc1=O
InChIInChI=1S/C7H7N5OS/c8-7-5(10-11-14-7)3-12-4-9-2-1-6(12)13/h1-2,4H,3,8H2
InChIKeyPKBJKSLDINGDQK-UHFFFAOYSA-N
XLogP-0.27
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-Aminothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62193285
6-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 62193812
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62245036
3-[(5-Chlorothiadiazol-4-yl)methyl]pyrimidin-4-one
CID 63768325
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768347
3-[[5-(Methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768516
3-[[5-(Propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768693
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one
CID 63768862
3-[(5-Aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63770601
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63770629
3-[(5-Aminothiadiazol-4-yl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66307780
3-[(5-Aminothiadiazol-4-yl)methyl]-5-bromopyrimidin-4-one
CID 66307892

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one (CID 63770615) is 3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one is Nc1snnc1Cn1cnccc1=O.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is PKBJKSLDINGDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5OS/c8-7-5(10-11-14-7)3-12-4-9-2-1-6(12)13/h1-2,4H,3,8H2.
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one?
3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 209.23 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 63770615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).