5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine

C17H14N4 — CID 56683837

IUPAC5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine
SMILESCn1c2cc(-c3ccccc3)ccc2c2ncnc(N)c21
InChIInChI=1S/C17H14N4/c1-21-14-9-12(11-5-3-2-4-6-11)7-8-13(14)15-16(21)17(18)20-10-19-15/h2-10H,1H3,(H2,18,19,20)
InChIKeyICGNJXWMOPJKIA-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.37
Rot. Bonds1

About 5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine

5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine (PubChem CID 56683837) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine
PubChem CID56683837
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine
SMILESCn1c2cc(-c3ccccc3)ccc2c2ncnc(N)c21
InChIInChI=1S/C17H14N4/c1-21-14-9-12(11-5-3-2-4-6-11)7-8-13(14)15-16(21)17(18)20-10-19-15/h2-10H,1H3,(H2,18,19,20)
InChIKeyICGNJXWMOPJKIA-UHFFFAOYSA-N
XLogP3.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine?
The IUPAC name of 5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine (CID 56683837) is 5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine is Cn1c2cc(-c3ccccc3)ccc2c2ncnc(N)c21.
What is the InChIKey of 5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine?
The InChIKey is ICGNJXWMOPJKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-21-14-9-12(11-5-3-2-4-6-11)7-8-13(14)15-16(21)17(18)20-10-19-15/h2-10H,1H3,(H2,18,19,20).
What are the key properties of 5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine?
5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine has a molecular weight of 274.33 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenylpyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 56683837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).