4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one

C8H10N6OS2 — CID 135962108

IUPAC4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCNc1snnc1CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H10N6OS2/c1-10-7-4(13-14-17-7)3-16-8-11-5(9)2-6(15)12-8/h2,10H,3H2,1H3,(H3,9,11,12,15)
InChIKeyJITJQNHYRQBYHU-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.54
Rot. Bonds4

About 4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one

4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 135962108) has the molecular formula C8H10N6OS2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID135962108
Molecular FormulaC8H10N6OS2
Molecular Weight270.34 g/mol
Exact Mass270.04
IUPAC Name4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCNc1snnc1CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H10N6OS2/c1-10-7-4(13-14-17-7)3-16-8-11-5(9)2-6(15)12-8/h2,10H,3H2,1H3,(H3,9,11,12,15)
InChIKeyJITJQNHYRQBYHU-UHFFFAOYSA-N
XLogP0.54
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one (CID 135962108) is 4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one is CNc1snnc1CSc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is JITJQNHYRQBYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS2/c1-10-7-4(13-14-17-7)3-16-8-11-5(9)2-6(15)12-8/h2,10H,3H2,1H3,(H3,9,11,12,15).
What are the key properties of 4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 270.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135962108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).