5-methyl-2,4-bis(methylsulfanyl)pyrimidine

C7H10N2S2 — CID 11401210

IUPAC5-methyl-2,4-bis(methylsulfanyl)pyrimidine
SMILESCSc1ncc(C)c(SC)n1
InChIInChI=1S/C7H10N2S2/c1-5-4-8-7(11-3)9-6(5)10-2/h4H,1-3H3
InChIKeyBDXAONLZDFLOAN-UHFFFAOYSA-N
MW186.31 g/mol
LogP2.23
Rot. Bonds2

About 5-methyl-2,4-bis(methylsulfanyl)pyrimidine

5-methyl-2,4-bis(methylsulfanyl)pyrimidine (PubChem CID 11401210) has the molecular formula C7H10N2S2 and a molecular weight of 186.31 g/mol. Its IUPAC name is 5-methyl-2,4-bis(methylsulfanyl)pyrimidine.

Molecular Properties

Compound Name5-methyl-2,4-bis(methylsulfanyl)pyrimidine
PubChem CID11401210
Molecular FormulaC7H10N2S2
Molecular Weight186.31 g/mol
Exact Mass186.03
IUPAC Name5-methyl-2,4-bis(methylsulfanyl)pyrimidine
SMILESCSc1ncc(C)c(SC)n1
InChIInChI=1S/C7H10N2S2/c1-5-4-8-7(11-3)9-6(5)10-2/h4H,1-3H3
InChIKeyBDXAONLZDFLOAN-UHFFFAOYSA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,5-trimethyl-2-methylsulfanylpyrimidin-4-amine
CID 134834110
2,4-bis(methylsulfanyl)-5-nitropyrimidine
CID 119098645
methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CID 22386205
methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
CID 130206256
5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
5-bromo-4-fluoro-2-methylsulfanylpyrimidine
CID 167727810
6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine
CID 21039988
benzaldehyde;5-methyl-2-methylsulfanylpyrimidin-4-amine
CID 142928859
4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine
CID 155798706
2-fluoro-4,5-dimethylpyridine
CID 51600276
2-methylsulfanylpyrimidin-5-ol
CID 588357
5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 90356390

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-bis(methylsulfanyl)pyrimidine?
The IUPAC name of 5-methyl-2,4-bis(methylsulfanyl)pyrimidine (CID 11401210) is 5-methyl-2,4-bis(methylsulfanyl)pyrimidine.
What is the SMILES notation for 5-methyl-2,4-bis(methylsulfanyl)pyrimidine?
The canonical SMILES for 5-methyl-2,4-bis(methylsulfanyl)pyrimidine is CSc1ncc(C)c(SC)n1.
What is the InChIKey of 5-methyl-2,4-bis(methylsulfanyl)pyrimidine?
The InChIKey is BDXAONLZDFLOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S2/c1-5-4-8-7(11-3)9-6(5)10-2/h4H,1-3H3.
What are the key properties of 5-methyl-2,4-bis(methylsulfanyl)pyrimidine?
5-methyl-2,4-bis(methylsulfanyl)pyrimidine has a molecular weight of 186.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-bis(methylsulfanyl)pyrimidine is sourced from PubChem (CID 11401210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).