2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol

C9H15N3OS — CID 80884568

IUPAC2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
SMILESCCc1c(NC)ncnc1SCCO
InChIInChI=1S/C9H15N3OS/c1-3-7-8(10-2)11-6-12-9(7)14-5-4-13/h6,13H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyBABAHZFTIHQGKD-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.17
Rot. Bonds5

About 2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol

2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol (PubChem CID 80884568) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
PubChem CID80884568
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
SMILESCCc1c(NC)ncnc1SCCO
InChIInChI=1S/C9H15N3OS/c1-3-7-8(10-2)11-6-12-9(7)14-5-4-13/h6,13H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyBABAHZFTIHQGKD-UHFFFAOYSA-N
XLogP1.17
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890303
6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80894668
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
3-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80894376
6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80885129
3-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891280
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80888515

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol?
The IUPAC name of 2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol (CID 80884568) is 2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol.
What is the SMILES notation for 2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol?
The canonical SMILES for 2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol is CCc1c(NC)ncnc1SCCO.
What is the InChIKey of 2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol?
The InChIKey is BABAHZFTIHQGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-7-8(10-2)11-6-12-9(7)14-5-4-13/h6,13H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol?
2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol has a molecular weight of 213.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol is sourced from PubChem (CID 80884568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).