6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine

C11H17N3OS — CID 154582929

IUPAC6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCSc1nc(C)cc(NC2CCOCC2)n1
InChIInChI=1S/C11H17N3OS/c1-8-7-10(14-11(12-8)16-2)13-9-3-5-15-6-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyJJPFDEKACHGPPI-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.10
Rot. Bonds3

About 6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine

6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 154582929) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
PubChem CID154582929
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCSc1nc(C)cc(NC2CCOCC2)n1
InChIInChI=1S/C11H17N3OS/c1-8-7-10(14-11(12-8)16-2)13-9-3-5-15-6-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyJJPFDEKACHGPPI-UHFFFAOYSA-N
XLogP2.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine (CID 154582929) is 6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine is CSc1nc(C)cc(NC2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is JJPFDEKACHGPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-7-10(14-11(12-8)16-2)13-9-3-5-15-6-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine?
6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 239.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 154582929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).