5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine

C13H14N2S — CID 129064949

IUPAC5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine
SMILESCSCc1ncc(C)c(-c2ccccc2)n1
InChIInChI=1S/C13H14N2S/c1-10-8-14-12(9-16-2)15-13(10)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyLAKFBXFRMQPBEZ-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.32
Rot. Bonds3

About 5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine

5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine (PubChem CID 129064949) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine.

Molecular Properties

Compound Name5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine
PubChem CID129064949
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine
SMILESCSCc1ncc(C)c(-c2ccccc2)n1
InChIInChI=1S/C13H14N2S/c1-10-8-14-12(9-16-2)15-13(10)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyLAKFBXFRMQPBEZ-UHFFFAOYSA-N
XLogP3.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-4-phenylpyrimidin-2-yl)methanol
CID 129064936
2,5-dimethyl-4-phenylpyrimidine;ethane
CID 143883358
3-ethoxy-2-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-3-oxopropanoic acid
CID 129064950
3,4,5-trimethyl-2-phenylpyridine
CID 59359504
5-benzoyl-2-(methylsulfanylmethyl)pyrimidine-4-carboxylic acid
CID 82170457
4-ethyl-5-methyl-2-phenylpyrimidine
CID 150383613
(1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
CID 94587549
5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine
CID 102494252
4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole
CID 54240728
N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
CID 62771548
2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide
CID 122148653
4-chloro-5-methyl-2,3-diphenylpyridine
CID 164527932

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine?
The IUPAC name of 5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine (CID 129064949) is 5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine.
What is the SMILES notation for 5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine?
The canonical SMILES for 5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine is CSCc1ncc(C)c(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine?
The InChIKey is LAKFBXFRMQPBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-10-8-14-12(9-16-2)15-13(10)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine?
5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine has a molecular weight of 230.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine is sourced from PubChem (CID 129064949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).