4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine

C13H24N4S — CID 80839637

IUPAC4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCSC)c1CCC
InChIInChI=1S/C13H24N4S/c1-4-6-11-12(14-7-5-2)16-10-17-13(11)15-8-9-18-3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyUKTYHSIUNZLAAC-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.03
Rot. Bonds9

About 4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine

4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine (PubChem CID 80839637) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
PubChem CID80839637
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCSC)c1CCC
InChIInChI=1S/C13H24N4S/c1-4-6-11-12(14-7-5-2)16-10-17-13(11)15-8-9-18-3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyUKTYHSIUNZLAAC-UHFFFAOYSA-N
XLogP3.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.03
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-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839154
4-N-(2-methylsulfanylethyl)-5-propylpyrimidine-4,6-diamine
CID 80838235
4-N-(2-methylsulfanylethyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80839763
6-chloro-N-(3-methylsulfanylpropyl)-5-propylpyrimidin-4-amine
CID 63959272
6-N-ethyl-5-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106434090
6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine
CID 80895521
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
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
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-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine (CID 80839637) is 4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine is CCCNc1ncnc(NCCSC)c1CCC.
What is the InChIKey of 4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The InChIKey is UKTYHSIUNZLAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-4-6-11-12(14-7-5-2)16-10-17-13(11)15-8-9-18-3/h10H,4-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine has a molecular weight of 268.43 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80839637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).