6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine

C12H21N3O3S — CID 103408460

IUPAC6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(OCCCOCCOC)nc(SC)n1
InChIInChI=1S/C12H21N3O3S/c1-13-10-9-11(15-12(14-10)19-3)18-6-4-5-17-8-7-16-2/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyPNZZNBSTXPBERI-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.67
Rot. Bonds10

About 6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 103408460) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID103408460
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(OCCCOCCOC)nc(SC)n1
InChIInChI=1S/C12H21N3O3S/c1-13-10-9-11(15-12(14-10)19-3)18-6-4-5-17-8-7-16-2/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyPNZZNBSTXPBERI-UHFFFAOYSA-N
XLogP1.67
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 103408460) is 6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(OCCCOCCOC)nc(SC)n1.
What is the InChIKey of 6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is PNZZNBSTXPBERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-13-10-9-11(15-12(14-10)19-3)18-6-4-5-17-8-7-16-2/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 287.38 g/mol, XLogP of 1.67, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 103408460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).