6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine

C12H21N3OS — CID 80884296

IUPAC6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(SCCOC)c1C
InChIInChI=1S/C12H21N3OS/c1-5-6-13-11-9(2)12(15-10(3)14-11)17-8-7-16-4/h5-8H2,1-4H3,(H,13,14,15)
InChIKeyYVUYZKBSGGTIAQ-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.65
Rot. Bonds7

About 6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine

6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 80884296) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
PubChem CID80884296
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(SCCOC)c1C
InChIInChI=1S/C12H21N3OS/c1-5-6-13-11-9(2)12(15-10(3)14-11)17-8-7-16-4/h5-8H2,1-4H3,(H,13,14,15)
InChIKeyYVUYZKBSGGTIAQ-UHFFFAOYSA-N
XLogP2.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine (CID 80884296) is 6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(SCCOC)c1C.
What is the InChIKey of 6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is YVUYZKBSGGTIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-6-13-11-9(2)12(15-10(3)14-11)17-8-7-16-4/h5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 255.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80884296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).