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

C8H13N3OS — CID 80885145

IUPAC2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol
SMILESCNc1ncc(C)c(SCCO)n1
InChIInChI=1S/C8H13N3OS/c1-6-5-10-8(9-2)11-7(6)13-4-3-12/h5,12H,3-4H2,1-2H3,(H,9,10,11)
InChIKeySVDCVPHSBSJNLP-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.91
Rot. Bonds4

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

2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol (PubChem CID 80885145) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol
PubChem CID80885145
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol
SMILESCNc1ncc(C)c(SCCO)n1
InChIInChI=1S/C8H13N3OS/c1-6-5-10-8(9-2)11-7(6)13-4-3-12/h5,12H,3-4H2,1-2H3,(H,9,10,11)
InChIKeySVDCVPHSBSJNLP-UHFFFAOYSA-N
XLogP0.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine
CID 80887439
4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80888484
2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol
CID 114788274
4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine
CID 80884313
2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
CID 80921412
2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80797115
3-[2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311818
N,5-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928309
2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885067
4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80894473
2-[ethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80790817
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80889068

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol?
The IUPAC name of 2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol (CID 80885145) is 2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol.
What is the SMILES notation for 2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol?
The canonical SMILES for 2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol is CNc1ncc(C)c(SCCO)n1.
What is the InChIKey of 2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol?
The InChIKey is SVDCVPHSBSJNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-5-10-8(9-2)11-7(6)13-4-3-12/h5,12H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol?
2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol has a molecular weight of 199.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol is sourced from PubChem (CID 80885145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).