N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine

C9H13N3OS — CID 700477

IUPACN-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine
SMILESCSc1nc(C)cc(ON=C(C)C)n1
InChIInChI=1S/C9H13N3OS/c1-6(2)12-13-8-5-7(3)10-9(11-8)14-4/h5H,1-4H3
InChIKeyHWKKORQYWQVALC-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.28
Rot. Bonds3

About N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine

N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine (PubChem CID 700477) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine.

Molecular Properties

Compound NameN-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine
PubChem CID700477
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine
SMILESCSc1nc(C)cc(ON=C(C)C)n1
InChIInChI=1S/C9H13N3OS/c1-6(2)12-13-8-5-7(3)10-9(11-8)14-4/h5H,1-4H3
InChIKeyHWKKORQYWQVALC-UHFFFAOYSA-N
XLogP2.28
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine?
The IUPAC name of N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine (CID 700477) is N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine.
What is the SMILES notation for N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine?
The canonical SMILES for N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine is CSc1nc(C)cc(ON=C(C)C)n1.
What is the InChIKey of N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine?
The InChIKey is HWKKORQYWQVALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6(2)12-13-8-5-7(3)10-9(11-8)14-4/h5H,1-4H3.
What are the key properties of N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine?
N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine has a molecular weight of 211.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypropan-2-imine is sourced from PubChem (CID 700477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).