2-methylsulfanyl-5-phenylpyrimidine

C11H10N2S — CID 608704

IUPAC2-methylsulfanyl-5-phenylpyrimidine
SMILESCSc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C11H10N2S/c1-14-11-12-7-10(8-13-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyXWLUWHOSZCALLD-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.87
Rot. Bonds2

About 2-methylsulfanyl-5-phenylpyrimidine

2-methylsulfanyl-5-phenylpyrimidine (PubChem CID 608704) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-methylsulfanyl-5-phenylpyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-5-phenylpyrimidine
PubChem CID608704
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2-methylsulfanyl-5-phenylpyrimidine
SMILESCSc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C11H10N2S/c1-14-11-12-7-10(8-13-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyXWLUWHOSZCALLD-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ly-2811376
CID 44251605
4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
5-(Phenylethynyl)pyrimidine
CID 4074142
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
5-((3-(Trifluoromethyl)phenyl)methyl)-2,4-pyrimidinediamine
CID 579834
(4~{s},6~{s})-4-[2,4-Bis(Fluoranyl)phenyl]-4-Methyl-6-Pyrimidin-5-Yl-5,6-Dihydro-1,3-Thiazin-2-Amine
CID 90253396
2,4-Diamino-5-benzylpyrimidine
CID 81752
2,5-Diphenylpyrimidine
CID 755305
2-Benzyl-4-methylpyrimidine
CID 915660
4-Hydrazino-5-phenylpyrimidine
CID 817388

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-phenylpyrimidine?
The IUPAC name of 2-methylsulfanyl-5-phenylpyrimidine (CID 608704) is 2-methylsulfanyl-5-phenylpyrimidine.
What is the SMILES notation for 2-methylsulfanyl-5-phenylpyrimidine?
The canonical SMILES for 2-methylsulfanyl-5-phenylpyrimidine is CSc1ncc(-c2ccccc2)cn1.
What is the InChIKey of 2-methylsulfanyl-5-phenylpyrimidine?
The InChIKey is XWLUWHOSZCALLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-14-11-12-7-10(8-13-11)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-methylsulfanyl-5-phenylpyrimidine?
2-methylsulfanyl-5-phenylpyrimidine has a molecular weight of 202.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-phenylpyrimidine is sourced from PubChem (CID 608704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).