4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine

C14H26N4S — CID 80839154

IUPAC4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCCSC)c1CCC
InChIInChI=1S/C14H26N4S/c1-4-7-12-13(15-8-5-2)17-11-18-14(12)16-9-6-10-19-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyVKSFZGLWOKSKNF-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.42
Rot. Bonds10

About 4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine

4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine (PubChem CID 80839154) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
PubChem CID80839154
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCCSC)c1CCC
InChIInChI=1S/C14H26N4S/c1-4-7-12-13(15-8-5-2)17-11-18-14(12)16-9-6-10-19-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyVKSFZGLWOKSKNF-UHFFFAOYSA-N
XLogP3.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.42
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-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
6-chloro-N-(3-methylsulfanylpropyl)-5-propylpyrimidin-4-amine
CID 63959272
4-N-(3-methylsulfanylpropyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80839278
4-N-(2-methylsulfanylethyl)-5-propylpyrimidine-4,6-diamine
CID 80838235
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779958
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732
3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311785
6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine
CID 80895521
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80783919

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine (CID 80839154) is 4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine is CCCNc1ncnc(NCCCSC)c1CCC.
What is the InChIKey of 4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The InChIKey is VKSFZGLWOKSKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-7-12-13(15-8-5-2)17-11-18-14(12)16-9-6-10-19-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine has a molecular weight of 282.46 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80839154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).