6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine

C13H24N4S — CID 80891443

IUPAC6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(SCCN(CC)CC)c1C
InChIInChI=1S/C13H24N4S/c1-5-14-12-11(4)13(16-10-15-12)18-9-8-17(6-2)7-3/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyBUUNITHQTUPLTO-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.65
Rot. Bonds8

About 6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine

6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80891443) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80891443
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(SCCN(CC)CC)c1C
InChIInChI=1S/C13H24N4S/c1-5-14-12-11(4)13(16-10-15-12)18-9-8-17(6-2)7-3/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyBUUNITHQTUPLTO-UHFFFAOYSA-N
XLogP2.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80885461
6-[2-(diethylamino)ethylsulfanyl]-5-nitro-N-propylpyrimidin-4-amine
CID 80887407
5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765253
N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
CID 80887110
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
CID 80887936
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890569
N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 63734759
4-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80816428
6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80889416
N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885549
N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine
CID 80996460

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine (CID 80891443) is 6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(SCCN(CC)CC)c1C.
What is the InChIKey of 6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is BUUNITHQTUPLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-5-14-12-11(4)13(16-10-15-12)18-9-8-17(6-2)7-3/h10H,5-9H2,1-4H3,(H,14,15,16).
What are the key properties of 6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine?
6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 268.43 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80891443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).