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

C13H13N5 — CID 84629410

IUPAC2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine
SMILESCc1ccc2nc3nc(CN)nc(N)c3cc2c1
InChIInChI=1S/C13H13N5/c1-7-2-3-10-8(4-7)5-9-12(15)17-11(6-14)18-13(9)16-10/h2-5H,6,14H2,1H3,(H2,15,16,17,18)
InChIKeyWJUVJUFLHRENSJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.53
Rot. Bonds1

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

2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine (PubChem CID 84629410) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine
PubChem CID84629410
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine
SMILESCc1ccc2nc3nc(CN)nc(N)c3cc2c1
InChIInChI=1S/C13H13N5/c1-7-2-3-10-8(4-7)5-9-12(15)17-11(6-14)18-13(9)16-10/h2-5H,6,14H2,1H3,(H2,15,16,17,18)
InChIKeyWJUVJUFLHRENSJ-UHFFFAOYSA-N
XLogP1.53
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine
CID 84634913
2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine
CID 84641253
2,7-dimethylacridine
CID 14490101
2,9-dimethylquinolino[2,3-b]acridine
CID 122407796
6-methylcinnolin-3-amine
CID 142584156
2,7-dimethylquinazolin-4-amine
CID 59095817
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine
CID 84625401
2-(iodomethyl)-6-methylquinoline
CID 138975713
(7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine
CID 84634639
2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine
CID 84636488
3,7-dimethyl-1,2-dihydroacridine
CID 70832048

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine (CID 84629410) is 2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine is Cc1ccc2nc3nc(CN)nc(N)c3cc2c1.
What is the InChIKey of 2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine?
The InChIKey is WJUVJUFLHRENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-7-2-3-10-8(4-7)5-9-12(15)17-11(6-14)18-13(9)16-10/h2-5H,6,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine?
2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 84629410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).