2-(1-methylsulfanylpropan-2-yl)pyrimidine

C8H12N2S — CID 66920835

IUPAC2-(1-methylsulfanylpropan-2-yl)pyrimidine
SMILESCSCC(C)c1ncccn1
InChIInChI=1S/C8H12N2S/c1-7(6-11-2)8-9-4-3-5-10-8/h3-5,7H,6H2,1-2H3
InChIKeyFZJGSIUIGIDCLE-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.94
Rot. Bonds3

About 2-(1-methylsulfanylpropan-2-yl)pyrimidine

2-(1-methylsulfanylpropan-2-yl)pyrimidine (PubChem CID 66920835) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(1-methylsulfanylpropan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(1-methylsulfanylpropan-2-yl)pyrimidine
PubChem CID66920835
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-(1-methylsulfanylpropan-2-yl)pyrimidine
SMILESCSCC(C)c1ncccn1
InChIInChI=1S/C8H12N2S/c1-7(6-11-2)8-9-4-3-5-10-8/h3-5,7H,6H2,1-2H3
InChIKeyFZJGSIUIGIDCLE-UHFFFAOYSA-N
XLogP1.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine
CID 123231333
2-(1-methylsulfanylpropan-2-yl)-1H-imidazole
CID 66924438
fluoromethane;2-propan-2-ylpyrimidine
CID 161216719
2-(3-methylbutan-2-yl)pyrimidine
CID 139342310
2-butan-2-ylpyrimidine;2-methylpyridine
CID 142961647
N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine
CID 89012774
N-ethyl-3-pyrimidin-2-ylbutan-2-amine
CID 63199557
(1R)-1-pyrimidin-2-ylethanamine;hydrochloride
CID 146680703
S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine
CID 142359365
3-pyrimidin-2-ylpentan-2-ol
CID 63201326
2-[(1S)-1-bromopropyl]pyrimidine
CID 124635355
2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine
CID 68761664

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfanylpropan-2-yl)pyrimidine?
The IUPAC name of 2-(1-methylsulfanylpropan-2-yl)pyrimidine (CID 66920835) is 2-(1-methylsulfanylpropan-2-yl)pyrimidine.
What is the SMILES notation for 2-(1-methylsulfanylpropan-2-yl)pyrimidine?
The canonical SMILES for 2-(1-methylsulfanylpropan-2-yl)pyrimidine is CSCC(C)c1ncccn1.
What is the InChIKey of 2-(1-methylsulfanylpropan-2-yl)pyrimidine?
The InChIKey is FZJGSIUIGIDCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-7(6-11-2)8-9-4-3-5-10-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(1-methylsulfanylpropan-2-yl)pyrimidine?
2-(1-methylsulfanylpropan-2-yl)pyrimidine has a molecular weight of 168.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfanylpropan-2-yl)pyrimidine is sourced from PubChem (CID 66920835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).