2,4-bis(methylsulfanyl)-5-phenylpyrimidine

C12H12N2S2 — CID 11021256

IUPAC2,4-bis(methylsulfanyl)-5-phenylpyrimidine
SMILESCSc1ncc(-c2ccccc2)c(SC)n1
InChIInChI=1S/C12H12N2S2/c1-15-11-10(8-13-12(14-11)16-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyKSQKICHKPAGQIY-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.59
Rot. Bonds3

About 2,4-bis(methylsulfanyl)-5-phenylpyrimidine

2,4-bis(methylsulfanyl)-5-phenylpyrimidine (PubChem CID 11021256) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 2,4-bis(methylsulfanyl)-5-phenylpyrimidine.

Molecular Properties

Compound Name2,4-bis(methylsulfanyl)-5-phenylpyrimidine
PubChem CID11021256
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Name2,4-bis(methylsulfanyl)-5-phenylpyrimidine
SMILESCSc1ncc(-c2ccccc2)c(SC)n1
InChIInChI=1S/C12H12N2S2/c1-15-11-10(8-13-12(14-11)16-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyKSQKICHKPAGQIY-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-bis(methylsulfanyl)-5-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ly-2811376
CID 44251605
5-Phenyl-2,4-pyrimidinediamine
CID 134761
(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-({2-[(4-Methylphenyl)thio]ethyl}thio)pyrimidine
CID 2948897
5-Phenylpyrimidin-4-amine
CID 233337
5-Phenylpyrimidin-2-amine
CID 12343511
2-(Phenylthio)-5-pyrimidinecarbonitrile
CID 1478410
(4-Isopropyl-benzyl)-[3-(pyrimidin-2-ylsulfanyl)-propyl]-amine
CID 24747120
(4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine
CID 68542320
2-(Methylsulfanyl)-5-phenylpyrimidine
CID 608704
5-Phenylpyrimidine
CID 817373
2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine
CID 96753

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methylsulfanyl)-5-phenylpyrimidine?
The IUPAC name of 2,4-bis(methylsulfanyl)-5-phenylpyrimidine (CID 11021256) is 2,4-bis(methylsulfanyl)-5-phenylpyrimidine.
What is the SMILES notation for 2,4-bis(methylsulfanyl)-5-phenylpyrimidine?
The canonical SMILES for 2,4-bis(methylsulfanyl)-5-phenylpyrimidine is CSc1ncc(-c2ccccc2)c(SC)n1.
What is the InChIKey of 2,4-bis(methylsulfanyl)-5-phenylpyrimidine?
The InChIKey is KSQKICHKPAGQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2/c1-15-11-10(8-13-12(14-11)16-2)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2,4-bis(methylsulfanyl)-5-phenylpyrimidine?
2,4-bis(methylsulfanyl)-5-phenylpyrimidine has a molecular weight of 248.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfanyl)-5-phenylpyrimidine is sourced from PubChem (CID 11021256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).