3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol

C11H19N3OS — CID 80890569

IUPAC3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
SMILESCCCNc1ncnc(SCCCO)c1C
InChIInChI=1S/C11H19N3OS/c1-3-5-12-10-9(2)11(14-8-13-10)16-7-4-6-15/h8,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyINGRJAWDLLCZFL-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.08
Rot. Bonds7

About 3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol

3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol (PubChem CID 80890569) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
PubChem CID80890569
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
SMILESCCCNc1ncnc(SCCCO)c1C
InChIInChI=1S/C11H19N3OS/c1-3-5-12-10-9(2)11(14-8-13-10)16-7-4-6-15/h8,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyINGRJAWDLLCZFL-UHFFFAOYSA-N
XLogP2.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.08
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

5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765253
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
CID 80887936
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890303
6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
CID 114009546
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine
CID 80891443
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80943609
5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 115384358
3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311785
5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80887595
4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842912

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol?
The IUPAC name of 3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol (CID 80890569) is 3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol is CCCNc1ncnc(SCCCO)c1C.
What is the InChIKey of 3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol?
The InChIKey is INGRJAWDLLCZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-5-12-10-9(2)11(14-8-13-10)16-7-4-6-15/h8,15H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol?
3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 80890569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).