1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one

C7H7N5OS — CID 62209184

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one
SMILESNc1snnc1Cn1cccnc1=O
InChIInChI=1S/C7H7N5OS/c8-6-5(10-11-14-6)4-12-3-1-2-9-7(12)13/h1-3H,4,8H2
InChIKeyOVRKMHKMKNUZGJ-UHFFFAOYSA-N
MW209.23 g/mol
LogP-0.27
Rot. Bonds2

About 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one

1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one (PubChem CID 62209184) has the molecular formula C7H7N5OS and a molecular weight of 209.23 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one
PubChem CID62209184
Molecular FormulaC7H7N5OS
Molecular Weight209.23 g/mol
Exact Mass209.04
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one
SMILESNc1snnc1Cn1cccnc1=O
InChIInChI=1S/C7H7N5OS/c8-6-5(10-11-14-6)4-12-3-1-2-9-7(12)13/h1-3H,4,8H2
InChIKeyOVRKMHKMKNUZGJ-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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one (CID 62209184) is 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one is Nc1snnc1Cn1cccnc1=O.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one?
The InChIKey is OVRKMHKMKNUZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5OS/c8-6-5(10-11-14-6)4-12-3-1-2-9-7(12)13/h1-3H,4,8H2.
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one?
1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-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 1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 62209184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).