4-(9-methyldibenzothiophen-3-yl)pyrimidine

C17H12N2S — CID 146397241

IUPAC4-(9-methyldibenzothiophen-3-yl)pyrimidine
SMILESCc1cccc2sc3cc(-c4ccncn4)ccc3c12
InChIInChI=1S/C17H12N2S/c1-11-3-2-4-15-17(11)13-6-5-12(9-16(13)20-15)14-7-8-18-10-19-14/h2-10H,1H3
InChIKeyAZTAJJDNMHDDAE-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.82
Rot. Bonds1

About 4-(9-methyldibenzothiophen-3-yl)pyrimidine

4-(9-methyldibenzothiophen-3-yl)pyrimidine (PubChem CID 146397241) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(9-methyldibenzothiophen-3-yl)pyrimidine.

Molecular Properties

Compound Name4-(9-methyldibenzothiophen-3-yl)pyrimidine
PubChem CID146397241
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC Name4-(9-methyldibenzothiophen-3-yl)pyrimidine
SMILESCc1cccc2sc3cc(-c4ccncn4)ccc3c12
InChIInChI=1S/C17H12N2S/c1-11-3-2-4-15-17(11)13-6-5-12(9-16(13)20-15)14-7-8-18-10-19-14/h2-10H,1H3
InChIKeyAZTAJJDNMHDDAE-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9-methyldibenzothiophen-3-yl)pyridine
CID 146397284
ethane;4-(3-methylphenyl)pyrimidine
CID 144572009
ethane;4-(3-methylphenyl)pyrimidine
CID 178100798
1-methyldibenzothiophene
CID 23839
1-methyl-8-(8-methyliodanuidyldibenzothiophen-3-yl)dibenzothiophene
CID 163428736
4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine
CID 59722147
2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
CID 166576650
4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine
CID 166573317
9-methyl-[1]benzothiolo[3,2-b]pyridine
CID 118243263
4-(1-benzothiophen-2-yl)-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 11602891
4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine
CID 166575205
4-(3-naphthalen-1-ylphenyl)pyrimidine
CID 156551175

Frequently Asked Questions

What is the IUPAC name of 4-(9-methyldibenzothiophen-3-yl)pyrimidine?
The IUPAC name of 4-(9-methyldibenzothiophen-3-yl)pyrimidine (CID 146397241) is 4-(9-methyldibenzothiophen-3-yl)pyrimidine.
What is the SMILES notation for 4-(9-methyldibenzothiophen-3-yl)pyrimidine?
The canonical SMILES for 4-(9-methyldibenzothiophen-3-yl)pyrimidine is Cc1cccc2sc3cc(-c4ccncn4)ccc3c12.
What is the InChIKey of 4-(9-methyldibenzothiophen-3-yl)pyrimidine?
The InChIKey is AZTAJJDNMHDDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c1-11-3-2-4-15-17(11)13-6-5-12(9-16(13)20-15)14-7-8-18-10-19-14/h2-10H,1H3.
What are the key properties of 4-(9-methyldibenzothiophen-3-yl)pyrimidine?
4-(9-methyldibenzothiophen-3-yl)pyrimidine has a molecular weight of 276.36 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methyldibenzothiophen-3-yl)pyrimidine is sourced from PubChem (CID 146397241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).