3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol

C10H17N3OS — CID 80890303

IUPAC3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
SMILESCCc1c(NC)ncnc1SCCCO
InChIInChI=1S/C10H17N3OS/c1-3-8-9(11-2)12-7-13-10(8)15-6-4-5-14/h7,14H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyUFIBITODOKLQLS-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.56
Rot. Bonds6

About 3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol

3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol (PubChem CID 80890303) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
PubChem CID80890303
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
SMILESCCc1c(NC)ncnc1SCCCO
InChIInChI=1S/C10H17N3OS/c1-3-8-9(11-2)12-7-13-10(8)15-6-4-5-14/h7,14H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyUFIBITODOKLQLS-UHFFFAOYSA-N
XLogP1.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.56
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

2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80884568
6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80894668
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766209
3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890569
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
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
4-butylsulfanyl-6-chloro-5-ethylpyrimidine
CID 63732711
3-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891280

Frequently Asked Questions

What is the IUPAC name of 3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol?
The IUPAC name of 3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol (CID 80890303) is 3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol is CCc1c(NC)ncnc1SCCCO.
What is the InChIKey of 3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol?
The InChIKey is UFIBITODOKLQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-8-9(11-2)12-7-13-10(8)15-6-4-5-14/h7,14H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol?
3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 80890303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).