3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol

C10H16N2OS — CID 66103304

IUPAC3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
SMILESCc1cc(SCC(C)CO)nc(C)n1
InChIInChI=1S/C10H16N2OS/c1-7(5-13)6-14-10-4-8(2)11-9(3)12-10/h4,7,13H,5-6H2,1-3H3
InChIKeyPPMDMZKUIMXXQX-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.81
Rot. Bonds4

About 3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol

3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol (PubChem CID 66103304) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
PubChem CID66103304
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
SMILESCc1cc(SCC(C)CO)nc(C)n1
InChIInChI=1S/C10H16N2OS/c1-7(5-13)6-14-10-4-8(2)11-9(3)12-10/h4,7,13H,5-6H2,1-3H3
InChIKeyPPMDMZKUIMXXQX-UHFFFAOYSA-N
XLogP1.81
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Butylsulfanyl)-6-methylpyrimidin-2-amine
CID 237930
2-(6-Methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol
CID 1575439
Phosphorodithioic acid, O,O-diethyl S-(2-(ethylthio)-6-methyl-4-pyrimidinyl) ester
CID 208584
2-[2-(Carboxymethylsulfanyl)-6-methylpyrimidin-4-yl]sulfanylacetic acid
CID 3835556
Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate
CID 2325642
Pyrimidine, 2,4-dimethyl-6-methylthio-
CID 13167816
2-((2-Isopropyl-6-methylpyrimidin-4-yl)thio)acetamide
CID 24321568
2,4-Bis(ethylsulfanyl)-6-methylpyrimidine
CID 12438218
4-Ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine
CID 155380164
2-[(2-Amino-6-methyl-4-pyrimidinyl)sulfanyl]ethanol
CID 121597884
2-Amino-4-[(2-hydroxyethyl)sulfanyl]-6-methyl-pyrimidine hydrochloride
CID 129765728
2-(7-Hydroxypropylthio)-4,6-dimethylpyrimidine
CID 129805382

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol (CID 66103304) is 3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol is Cc1cc(SCC(C)CO)nc(C)n1.
What is the InChIKey of 3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is PPMDMZKUIMXXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(5-13)6-14-10-4-8(2)11-9(3)12-10/h4,7,13H,5-6H2,1-3H3.
What are the key properties of 3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 66103304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).