6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine

C13H23N3S — CID 115637362

IUPAC6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCSCCCCNc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H23N3S/c1-10(2)13-15-11(3)9-12(16-13)14-7-5-6-8-17-4/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyNOEZDDGDSAHWLS-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.46
Rot. Bonds7

About 6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine

6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 115637362) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID115637362
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCSCCCCNc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H23N3S/c1-10(2)13-15-11(3)9-12(16-13)14-7-5-6-8-17-4/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyNOEZDDGDSAHWLS-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-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

6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227
6-N-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960012
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113257391
N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83030494
6-methyl-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79362563
N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 63767232
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-methyl-N-(2-piperazin-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43600421
6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112726070

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine (CID 115637362) is 6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine is CSCCCCNc1cc(C)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is NOEZDDGDSAHWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(2)13-15-11(3)9-12(16-13)14-7-5-6-8-17-4/h9-10H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine?
6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 115637362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).