3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one

C7H7N5OS — CID 80608017

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
SMILESNc1nnc(Cn2cnccc2=O)s1
InChIInChI=1S/C7H7N5OS/c8-7-11-10-5(14-7)3-12-4-9-2-1-6(12)13/h1-2,4H,3H2,(H2,8,11)
InChIKeyBVPSUJUIQWYTND-UHFFFAOYSA-N
MW209.23 g/mol
LogP-0.27
Rot. Bonds2

About 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one

3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one (PubChem CID 80608017) has the molecular formula C7H7N5OS and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
PubChem CID80608017
Molecular FormulaC7H7N5OS
Molecular Weight209.23 g/mol
Exact Mass209.04
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
SMILESNc1nnc(Cn2cnccc2=O)s1
InChIInChI=1S/C7H7N5OS/c8-7-11-10-5(14-7)3-12-4-9-2-1-6(12)13/h1-2,4H,3H2,(H2,8,11)
InChIKeyBVPSUJUIQWYTND-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-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-iodopyrimidin-4-one
CID 80607744
3-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-one
CID 80607827
3-[[5-(Methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80607917
3-[[5-(Propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80607918
3-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608016
3-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 80608295
3-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidin-4-one
CID 80608563
3-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-6-methylpyrimidin-4-one
CID 80608725
3-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 80609001
5-Iodo-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80609088
3-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
CID 80609554
5-Bromo-3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
CID 80613498

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one (CID 80608017) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one is Nc1nnc(Cn2cnccc2=O)s1.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one?
The InChIKey is BVPSUJUIQWYTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5OS/c8-7-11-10-5(14-7)3-12-4-9-2-1-6(12)13/h1-2,4H,3H2,(H2,8,11).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one?
3-[(5-amino-1,3,4-thiadiazol-2-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-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 80608017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).