2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine

C14H15N5O — CID 84641253

IUPAC2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine
SMILESCOc1cc(C)c2nc3nc(CN)nc(N)c3cc2c1
InChIInChI=1S/C14H15N5O/c1-7-3-9(20-2)4-8-5-10-13(16)17-11(6-15)18-14(10)19-12(7)8/h3-5H,6,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyZAWSBMLZWFWIOP-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.54
Rot. Bonds2

About 2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine

2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine (PubChem CID 84641253) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine
PubChem CID84641253
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine
SMILESCOc1cc(C)c2nc3nc(CN)nc(N)c3cc2c1
InChIInChI=1S/C14H15N5O/c1-7-3-9(20-2)4-8-5-10-13(16)17-11(6-15)18-14(10)19-12(7)8/h3-5H,6,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyZAWSBMLZWFWIOP-UHFFFAOYSA-N
XLogP1.54
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine
CID 84635642
3-tert-butyl-6-methoxy-8-methylquinolin-2-amine
CID 63385968
2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine
CID 84629410
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
(2-cyclopropyl-6-methoxy-8-methylquinolin-4-yl)methanamine
CID 84630264
2-ethyl-6-methoxy-8-methyl-N-propylquinolin-4-amine
CID 63482033
(6,8-dimethoxy-2-methylquinolin-3-yl)methanamine
CID 82242916
(2-ethyl-6-methoxy-8-methylquinolin-4-yl)hydrazine
CID 62872832
2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine
CID 84634653
2-(2-aminoethyl)-7-methoxyquinazolin-4-amine
CID 105472508
2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine
CID 163213187
N-ethyl-6-methoxy-8-methyl-2-propan-2-ylquinolin-4-amine
CID 55196924

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine (CID 84641253) is 2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine is COc1cc(C)c2nc3nc(CN)nc(N)c3cc2c1.
What is the InChIKey of 2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine?
The InChIKey is ZAWSBMLZWFWIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-7-3-9(20-2)4-8-5-10-13(16)17-11(6-15)18-14(10)19-12(7)8/h3-5H,6,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine?
2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine has a molecular weight of 269.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 84641253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).