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

C11H20N4S — CID 80894668

IUPAC6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1SCCN(C)C
InChIInChI=1S/C11H20N4S/c1-5-9-10(12-2)13-8-14-11(9)16-7-6-15(3)4/h8H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyAYBCWSJORISVCM-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.73
Rot. Bonds6

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

6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80894668) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID80894668
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1SCCN(C)C
InChIInChI=1S/C11H20N4S/c1-5-9-10(12-2)13-8-14-11(9)16-7-6-15(3)4/h8H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyAYBCWSJORISVCM-UHFFFAOYSA-N
XLogP1.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80884568
3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890303
6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine
CID 80895521
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 103291539
6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80890612
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766209
6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80885129
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80888515
4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80774359

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine (CID 80894668) is 6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1SCCN(C)C.
What is the InChIKey of 6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is AYBCWSJORISVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-5-9-10(12-2)13-8-14-11(9)16-7-6-15(3)4/h8H,5-7H2,1-4H3,(H,12,13,14).
What are the key properties of 6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine?
6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 240.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80894668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).