4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine

C11H20N4S — CID 80831312

IUPAC4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCCCC(C)C)n1
InChIInChI=1S/C11H20N4S/c1-8(2)5-4-6-13-10-7-9(12)14-11(15-10)16-3/h7-8H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyORHPISQZLKZMGH-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.63
Rot. Bonds6

About 4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80831312) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80831312
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCCCC(C)C)n1
InChIInChI=1S/C11H20N4S/c1-8(2)5-4-6-13-10-7-9(12)14-11(15-10)16-3/h7-8H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyORHPISQZLKZMGH-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80801282
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292
2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766259
2-methylsulfanyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-4,6-diamine
CID 113413349
4-N-[2-(4-fluorophenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80785928
methyl 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]propanoate
CID 80798638
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162555
4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 104830518
4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80790240
2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80808551
2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80828387
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80831312) is 4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(NCCCC(C)C)n1.
What is the InChIKey of 4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is ORHPISQZLKZMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8(2)5-4-6-13-10-7-9(12)14-11(15-10)16-3/h7-8H,4-6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 240.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80831312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).