2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine

C15H16N4 — CID 84634653

IUPAC2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine
SMILESCCc1nc(N)c2cc3c(C)cc(C)cc3nc2n1
InChIInChI=1S/C15H16N4/c1-4-13-18-14(16)11-7-10-9(3)5-8(2)6-12(10)17-15(11)19-13/h5-7H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyBETPKKPRAOMMPW-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.94
Rot. Bonds1

About 2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine

2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine (PubChem CID 84634653) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine
PubChem CID84634653
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine
SMILESCCc1nc(N)c2cc3c(C)cc(C)cc3nc2n1
InChIInChI=1S/C15H16N4/c1-4-13-18-14(16)11-7-10-9(3)5-8(2)6-12(10)17-15(11)19-13/h5-7H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyBETPKKPRAOMMPW-UHFFFAOYSA-N
XLogP2.94
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine?
The IUPAC name of 2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine (CID 84634653) is 2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine.
What is the SMILES notation for 2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine?
The canonical SMILES for 2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine is CCc1nc(N)c2cc3c(C)cc(C)cc3nc2n1.
What is the InChIKey of 2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine?
The InChIKey is BETPKKPRAOMMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-4-13-18-14(16)11-7-10-9(3)5-8(2)6-12(10)17-15(11)19-13/h5-7H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine?
2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 84634653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).