6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine

C12H21N3O2S — CID 113401713

IUPAC6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SCCOC)nc(COC)n1
InChIInChI=1S/C12H21N3O2S/c1-4-5-13-10-8-12(18-7-6-16-2)15-11(14-10)9-17-3/h8H,4-7,9H2,1-3H3,(H,13,14,15)
InChIKeyHOFGYMHBAITCEO-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.18
Rot. Bonds9

About 6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine

6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 113401713) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID113401713
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SCCOC)nc(COC)n1
InChIInChI=1S/C12H21N3O2S/c1-4-5-13-10-8-12(18-7-6-16-2)15-11(14-10)9-17-3/h8H,4-7,9H2,1-3H3,(H,13,14,15)
InChIKeyHOFGYMHBAITCEO-UHFFFAOYSA-N
XLogP2.18
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
CID 80947939
2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765335
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
2-(methoxymethyl)-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433968
methyl 3-[2-ethyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropanoate
CID 80937339
6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456633
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
3-[2-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311652
6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720359
2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80886667
4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
CID 104830551
6-tert-butyl-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 62192335

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 113401713) is 6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(SCCOC)nc(COC)n1.
What is the InChIKey of 6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is HOFGYMHBAITCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-5-13-10-8-12(18-7-6-16-2)15-11(14-10)9-17-3/h8H,4-7,9H2,1-3H3,(H,13,14,15).
What are the key properties of 6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine?
6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 271.39 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 113401713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).