5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one

C7H11N3OS — CID 83876552

IUPAC5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCNCc1cnc(SC)[nH]c1=O
InChIInChI=1S/C7H11N3OS/c1-8-3-5-4-9-7(12-2)10-6(5)11/h4,8H,3H2,1-2H3,(H,9,10,11)
InChIKeyDIRRIIGMKOAENA-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.21
Rot. Bonds3

About 5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one

5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 83876552) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID83876552
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCNCc1cnc(SC)[nH]c1=O
InChIInChI=1S/C7H11N3OS/c1-8-3-5-4-9-7(12-2)10-6(5)11/h4,8H,3H2,1-2H3,(H,9,10,11)
InChIKeyDIRRIIGMKOAENA-UHFFFAOYSA-N
XLogP0.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one (CID 83876552) is 5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one is CNCc1cnc(SC)[nH]c1=O.
What is the InChIKey of 5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is DIRRIIGMKOAENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-8-3-5-4-9-7(12-2)10-6(5)11/h4,8H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 185.25 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 83876552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).