4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one

C8H11N3OS — CID 83871587

IUPAC4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)[nH]c2c1CSCC2
InChIInChI=1S/C8H11N3OS/c1-9-7-5-4-13-3-2-6(5)10-8(12)11-7/h2-4H2,1H3,(H2,9,10,11,12)
InChIKeyLTPXJAWOZNYHBZ-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.60
Rot. Bonds1

About 4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one

4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one (PubChem CID 83871587) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one
PubChem CID83871587
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)[nH]c2c1CSCC2
InChIInChI=1S/C8H11N3OS/c1-9-7-5-4-13-3-2-6(5)10-8(12)11-7/h2-4H2,1H3,(H2,9,10,11,12)
InChIKeyLTPXJAWOZNYHBZ-UHFFFAOYSA-N
XLogP0.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one?
The IUPAC name of 4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one (CID 83871587) is 4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one is CNc1nc(=O)[nH]c2c1CSCC2.
What is the InChIKey of 4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one?
The InChIKey is LTPXJAWOZNYHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-9-7-5-4-13-3-2-6(5)10-8(12)11-7/h2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one?
4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one has a molecular weight of 197.26 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 83871587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).