2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine

C13H13N5O — CID 84635642

IUPAC2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine
SMILESCOc1ccc2cc3c(N)nc(CN)nc3nc2c1
InChIInChI=1S/C13H13N5O/c1-19-8-3-2-7-4-9-12(15)17-11(6-14)18-13(9)16-10(7)5-8/h2-5H,6,14H2,1H3,(H2,15,16,17,18)
InChIKeyKCTZBORFSHTZOM-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.23
Rot. Bonds2

About 2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine

2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine (PubChem CID 84635642) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine
PubChem CID84635642
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine
SMILESCOc1ccc2cc3c(N)nc(CN)nc3nc2c1
InChIInChI=1S/C13H13N5O/c1-19-8-3-2-7-4-9-12(15)17-11(6-14)18-13(9)16-10(7)5-8/h2-5H,6,14H2,1H3,(H2,15,16,17,18)
InChIKeyKCTZBORFSHTZOM-UHFFFAOYSA-N
XLogP1.23
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.23
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)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine
CID 84641253
2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine
CID 84629410
2-(2-aminoethyl)-7-methoxyquinazolin-4-amine
CID 105472508
(2-amino-7-methoxyquinolin-3-yl)methanol
CID 62194670
3-bromo-7-methoxyquinolin-2-amine
CID 126637777
(6-methoxyquinolin-2-yl)methanamine;dihydrochloride
CID 47002728
1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine
CID 84635207
2-(4-amino-6-methoxyquinazolin-2-yl)ethanol
CID 105473832
3-(butoxymethyl)-7-methoxyquinolin-2-amine
CID 55044888
3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 62209410
7-methoxy-2,3-dimethylquinoline
CID 58717059
3-ethyl-7-methoxy-2-methylquinoline
CID 90882709

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine (CID 84635642) is 2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine is COc1ccc2cc3c(N)nc(CN)nc3nc2c1.
What is the InChIKey of 2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine?
The InChIKey is KCTZBORFSHTZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-19-8-3-2-7-4-9-12(15)17-11(6-14)18-13(9)16-10(7)5-8/h2-5H,6,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine?
2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine has a molecular weight of 255.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 84635642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).