5-(4-methylphenyl)sulfanylpyrimidine

C11H10N2S — CID 59830325

IUPAC5-(4-methylphenyl)sulfanylpyrimidine
SMILESCc1ccc(Sc2cncnc2)cc1
InChIInChI=1S/C11H10N2S/c1-9-2-4-10(5-3-9)14-11-6-12-8-13-7-11/h2-8H,1H3
InChIKeyQOPBARRPXKCYEO-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.94
Rot. Bonds2

About 5-(4-methylphenyl)sulfanylpyrimidine

5-(4-methylphenyl)sulfanylpyrimidine (PubChem CID 59830325) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfanylpyrimidine
PubChem CID59830325
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name5-(4-methylphenyl)sulfanylpyrimidine
SMILESCc1ccc(Sc2cncnc2)cc1
InChIInChI=1S/C11H10N2S/c1-9-2-4-10(5-3-9)14-11-6-12-8-13-7-11/h2-8H,1H3
InChIKeyQOPBARRPXKCYEO-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfanylpyrimidine?
The IUPAC name of 5-(4-methylphenyl)sulfanylpyrimidine (CID 59830325) is 5-(4-methylphenyl)sulfanylpyrimidine.
What is the SMILES notation for 5-(4-methylphenyl)sulfanylpyrimidine?
The canonical SMILES for 5-(4-methylphenyl)sulfanylpyrimidine is Cc1ccc(Sc2cncnc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfanylpyrimidine?
The InChIKey is QOPBARRPXKCYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-9-2-4-10(5-3-9)14-11-6-12-8-13-7-11/h2-8H,1H3.
What are the key properties of 5-(4-methylphenyl)sulfanylpyrimidine?
5-(4-methylphenyl)sulfanylpyrimidine has a molecular weight of 202.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfanylpyrimidine is sourced from PubChem (CID 59830325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).