2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine

C15H16N4 — CID 84634645

IUPAC2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine
SMILESCc1ccc2cc3cnc(CCN)nc3nc2c1C
InChIInChI=1S/C15H16N4/c1-9-3-4-11-7-12-8-17-13(5-6-16)18-15(12)19-14(11)10(9)2/h3-4,7-8H,5-6,16H2,1-2H3
InChIKeyWHAMYWOZAMCLNJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.30
Rot. Bonds2

About 2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine

2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine (PubChem CID 84634645) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine
PubChem CID84634645
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine
SMILESCc1ccc2cc3cnc(CCN)nc3nc2c1C
InChIInChI=1S/C15H16N4/c1-9-3-4-11-7-12-8-17-13(5-6-16)18-15(12)19-14(11)10(9)2/h3-4,7-8H,5-6,16H2,1-2H3
InChIKeyWHAMYWOZAMCLNJ-UHFFFAOYSA-N
XLogP2.30
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine?
The IUPAC name of 2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine (CID 84634645) is 2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine?
The canonical SMILES for 2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine is Cc1ccc2cc3cnc(CCN)nc3nc2c1C.
What is the InChIKey of 2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine?
The InChIKey is WHAMYWOZAMCLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-9-3-4-11-7-12-8-17-13(5-6-16)18-15(12)19-14(11)10(9)2/h3-4,7-8H,5-6,16H2,1-2H3.
What are the key properties of 2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine?
2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine is sourced from PubChem (CID 84634645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).