3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole

C19H15N3S — CID 138976061

IUPAC3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole
SMILESCc1c(Sc2ccccc2)n(-c2ncccn2)c2ccccc12
InChIInChI=1S/C19H15N3S/c1-14-16-10-5-6-11-17(16)22(19-20-12-7-13-21-19)18(14)23-15-8-3-2-4-9-15/h2-13H,1H3
InChIKeyRZUZWSQBHDTQRO-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.88
Rot. Bonds3

About 3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole

3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole (PubChem CID 138976061) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole.

Molecular Properties

Compound Name3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole
PubChem CID138976061
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole
SMILESCc1c(Sc2ccccc2)n(-c2ncccn2)c2ccccc12
InChIInChI=1S/C19H15N3S/c1-14-16-10-5-6-11-17(16)22(19-20-12-7-13-21-19)18(14)23-15-8-3-2-4-9-15/h2-13H,1H3
InChIKeyRZUZWSQBHDTQRO-UHFFFAOYSA-N
XLogP4.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole 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

12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
Mls000766143
CID 288286
5,7-dimethyl-2-((1-methyl-4-phenyl-1H-imidazol-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 44548780
1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(pyrimidin-5-yl)-1H-indole
CID 52942395
4-((3-Methylbenzyl)thio)quinazoline
CID 7117226
2-(4-Fluorophenyl)-7-methylthio-3-(4-pyrimidinyl)pyrazolo[1,5-a]pyridine
CID 9945696
4-(5-Benzyl-3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
CID 24878396
6-Benzyl-2-(1-methyl-1H-imidazol-4-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275820
5-[3-(Diethylaminomethyl)-1-octylindol-5-yl]pyrimidin-2-amine
CID 71660501
2-Methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline
CID 118444689
4-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 648145
4-(Imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline
CID 2997679

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole?
The IUPAC name of 3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole (CID 138976061) is 3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole.
What is the SMILES notation for 3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole?
The canonical SMILES for 3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole is Cc1c(Sc2ccccc2)n(-c2ncccn2)c2ccccc12.
What is the InChIKey of 3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole?
The InChIKey is RZUZWSQBHDTQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-14-16-10-5-6-11-17(16)22(19-20-12-7-13-21-19)18(14)23-15-8-3-2-4-9-15/h2-13H,1H3.
What are the key properties of 3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole?
3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole has a molecular weight of 317.42 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole is sourced from PubChem (CID 138976061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).