6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine

C14H25N3OS — CID 80990680

IUPAC6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(SCCOC)c1C
InChIInChI=1S/C14H25N3OS/c1-6-7-15-13-11(4)14(19-9-8-18-5)17-12(16-13)10(2)3/h10H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyMXHHJFFJGUQGGJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.47
Rot. Bonds8

About 6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine

6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80990680) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80990680
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(SCCOC)c1C
InChIInChI=1S/C14H25N3OS/c1-6-7-15-13-11(4)14(19-9-8-18-5)17-12(16-13)10(2)3/h10H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyMXHHJFFJGUQGGJ-UHFFFAOYSA-N
XLogP3.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-methoxybutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984651
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80991069
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104767285
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
6-hydrazinyl-N-(2-methoxyethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001779
methyl 3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986482
5-methyl-6-(4-methylpentoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989042
5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989175
N-ethyl-5-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80990699
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104830615

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80990680) is 6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)C)nc(SCCOC)c1C.
What is the InChIKey of 6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is MXHHJFFJGUQGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-6-7-15-13-11(4)14(19-9-8-18-5)17-12(16-13)10(2)3/h10H,6-9H2,1-5H3,(H,15,16,17).
What are the key properties of 6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 283.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80990680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).