2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine

C8H13N3OS — CID 115331085

IUPAC2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine
SMILESCCOCSc1nc(C)cc(N)n1
InChIInChI=1S/C8H13N3OS/c1-3-12-5-13-8-10-6(2)4-7(9)11-8/h4H,3,5H2,1-2H3,(H2,9,10,11)
InChIKeyNMPMKAMWBUCADK-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.45
Rot. Bonds4

About 2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine

2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine (PubChem CID 115331085) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine
PubChem CID115331085
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine
SMILESCCOCSc1nc(C)cc(N)n1
InChIInChI=1S/C8H13N3OS/c1-3-12-5-13-8-10-6(2)4-7(9)11-8/h4H,3,5H2,1-2H3,(H2,9,10,11)
InChIKeyNMPMKAMWBUCADK-UHFFFAOYSA-N
XLogP1.45
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine (CID 115331085) is 2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine is CCOCSc1nc(C)cc(N)n1.
What is the InChIKey of 2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine?
The InChIKey is NMPMKAMWBUCADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-3-12-5-13-8-10-6(2)4-7(9)11-8/h4H,3,5H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine?
2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine has a molecular weight of 199.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 115331085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).