4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine

C11H19N3OS — CID 112637747

IUPAC4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
SMILESCSCCNc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)15-10-7-9(3)13-11(14-10)12-5-6-16-4/h7-8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyGAXPYJBSTLZUCN-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.35
Rot. Bonds6

About 4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine

4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 112637747) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
PubChem CID112637747
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
SMILESCSCCNc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)15-10-7-9(3)13-11(14-10)12-5-6-16-4/h7-8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyGAXPYJBSTLZUCN-UHFFFAOYSA-N
XLogP2.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine (CID 112637747) is 4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine is CSCCNc1nc(C)cc(OC(C)C)n1.
What is the InChIKey of 4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is GAXPYJBSTLZUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)15-10-7-9(3)13-11(14-10)12-5-6-16-4/h7-8H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine?
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 241.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112637747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).