8-methyl-5-phenylpyrimido[5,4-b]indole

C17H13N3 — CID 67094526

IUPAC8-methyl-5-phenylpyrimido[5,4-b]indole
SMILESCc1ccc2c(c1)c1ncncc1n2-c1ccccc1
InChIInChI=1S/C17H13N3/c1-12-7-8-15-14(9-12)17-16(10-18-11-19-17)20(15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyGHTKKRBWWXLQKB-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.88
Rot. Bonds1

About 8-methyl-5-phenylpyrimido[5,4-b]indole

8-methyl-5-phenylpyrimido[5,4-b]indole (PubChem CID 67094526) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 8-methyl-5-phenylpyrimido[5,4-b]indole.

Molecular Properties

Compound Name8-methyl-5-phenylpyrimido[5,4-b]indole
PubChem CID67094526
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name8-methyl-5-phenylpyrimido[5,4-b]indole
SMILESCc1ccc2c(c1)c1ncncc1n2-c1ccccc1
InChIInChI=1S/C17H13N3/c1-12-7-8-15-14(9-12)17-16(10-18-11-19-17)20(15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyGHTKKRBWWXLQKB-UHFFFAOYSA-N
XLogP3.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-phenylpyrimido[5,4-b]indole?
The IUPAC name of 8-methyl-5-phenylpyrimido[5,4-b]indole (CID 67094526) is 8-methyl-5-phenylpyrimido[5,4-b]indole.
What is the SMILES notation for 8-methyl-5-phenylpyrimido[5,4-b]indole?
The canonical SMILES for 8-methyl-5-phenylpyrimido[5,4-b]indole is Cc1ccc2c(c1)c1ncncc1n2-c1ccccc1.
What is the InChIKey of 8-methyl-5-phenylpyrimido[5,4-b]indole?
The InChIKey is GHTKKRBWWXLQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-12-7-8-15-14(9-12)17-16(10-18-11-19-17)20(15)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 8-methyl-5-phenylpyrimido[5,4-b]indole?
8-methyl-5-phenylpyrimido[5,4-b]indole has a molecular weight of 259.31 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-phenylpyrimido[5,4-b]indole is sourced from PubChem (CID 67094526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).