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

C11H17N3OS — CID 175652021

IUPACN-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCSc1nccc(N(C)C2CCOCC2)n1
InChIInChI=1S/C11H17N3OS/c1-14(9-4-7-15-8-5-9)10-3-6-12-11(13-10)16-2/h3,6,9H,4-5,7-8H2,1-2H3
InChIKeyGQSHPSZTJGWYSL-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.81
Rot. Bonds3

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

N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 175652021) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
PubChem CID175652021
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCSc1nccc(N(C)C2CCOCC2)n1
InChIInChI=1S/C11H17N3OS/c1-14(9-4-7-15-8-5-9)10-3-6-12-11(13-10)16-2/h3,6,9H,4-5,7-8H2,1-2H3
InChIKeyGQSHPSZTJGWYSL-UHFFFAOYSA-N
XLogP1.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine (CID 175652021) is N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine is CSc1nccc(N(C)C2CCOCC2)n1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is GQSHPSZTJGWYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-14(9-4-7-15-8-5-9)10-3-6-12-11(13-10)16-2/h3,6,9H,4-5,7-8H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine?
N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 239.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 175652021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).