6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine

C14H26N4S — CID 80895521

IUPAC6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(SCCN(C)C)c1CCC
InChIInChI=1S/C14H26N4S/c1-5-7-12-13(15-8-6-2)16-11-17-14(12)19-10-9-18(3)4/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyLIEBKDFNCHNHAR-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.90
Rot. Bonds9

About 6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine

6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine (PubChem CID 80895521) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine
PubChem CID80895521
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(SCCN(C)C)c1CCC
InChIInChI=1S/C14H26N4S/c1-5-7-12-13(15-8-6-2)16-11-17-14(12)19-10-9-18(3)4/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyLIEBKDFNCHNHAR-UHFFFAOYSA-N
XLogP2.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80894668
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 63734589
6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
CID 80889758
4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839154
5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine
CID 80883437
6-[2-(diethylamino)ethylsulfanyl]-5-nitro-N-propylpyrimidin-4-amine
CID 80887407
5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765253
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
CID 80887936
4-N-(2-methylsulfanylethyl)-5-propylpyrimidine-4,6-diamine
CID 80838235
3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890569

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine (CID 80895521) is 6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(SCCN(C)C)c1CCC.
What is the InChIKey of 6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine?
The InChIKey is LIEBKDFNCHNHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-5-7-12-13(15-8-6-2)16-11-17-14(12)19-10-9-18(3)4/h11H,5-10H2,1-4H3,(H,15,16,17).
What are the key properties of 6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine?
6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine has a molecular weight of 282.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80895521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).