6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine

C13H23N3OS — CID 80947939

IUPAC6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(SCCOC)nc(CCC)n1
InChIInChI=1S/C13H23N3OS/c1-4-6-11-15-12(14-7-5-2)10-13(16-11)18-9-8-17-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyICUPEKVKTZEZIQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.99
Rot. Bonds9

About 6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine

6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine (PubChem CID 80947939) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
PubChem CID80947939
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(SCCOC)nc(CCC)n1
InChIInChI=1S/C13H23N3OS/c1-4-6-11-15-12(14-7-5-2)10-13(16-11)18-9-8-17-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyICUPEKVKTZEZIQ-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.99
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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Related Compounds

6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113401713
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510
6-tert-butyl-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 62192335
methyl 3-[2-ethyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropanoate
CID 80937339
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765335
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664
1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248740
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine
CID 106928672
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine (CID 80947939) is 6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine is CCCNc1cc(SCCOC)nc(CCC)n1.
What is the InChIKey of 6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine?
The InChIKey is ICUPEKVKTZEZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-6-11-15-12(14-7-5-2)10-13(16-11)18-9-8-17-3/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine?
6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine has a molecular weight of 269.41 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80947939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).