7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine

C14H15N5 — CID 84634913

IUPAC7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine
SMILESCNCc1nc(N)c2cc3cc(C)ccc3nc2n1
InChIInChI=1S/C14H15N5/c1-8-3-4-11-9(5-8)6-10-13(15)18-12(7-16-2)19-14(10)17-11/h3-6,16H,7H2,1-2H3,(H2,15,17,18,19)
InChIKeyMWILXRCXEZUDEU-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.79
Rot. Bonds2

About 7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine

7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine (PubChem CID 84634913) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

Compound Name7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine
PubChem CID84634913
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine
SMILESCNCc1nc(N)c2cc3cc(C)ccc3nc2n1
InChIInChI=1S/C14H15N5/c1-8-3-4-11-9(5-8)6-10-13(15)18-12(7-16-2)19-14(10)17-11/h3-6,16H,7H2,1-2H3,(H2,15,17,18,19)
InChIKeyMWILXRCXEZUDEU-UHFFFAOYSA-N
XLogP1.79
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.79
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

2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine
CID 84629410
6-chloro-2-(methylaminomethyl)quinazolin-4-amine
CID 105480053
2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine
CID 84640458
2,7-dimethylacridine
CID 14490101
2,9-dimethylquinolino[2,3-b]acridine
CID 122407796
6-methylcinnolin-3-amine
CID 142584156
2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine
CID 84635642
2,7-dimethylquinazolin-4-amine
CID 59095817
N,3,6-trimethylquinolin-2-amine
CID 63231556
3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline
CID 58871253
6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
CID 84625990
N-methyl-1-(6-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82448157

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine?
The IUPAC name of 7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine (CID 84634913) is 7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine.
What is the SMILES notation for 7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine?
The canonical SMILES for 7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine is CNCc1nc(N)c2cc3cc(C)ccc3nc2n1.
What is the InChIKey of 7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine?
The InChIKey is MWILXRCXEZUDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-8-3-4-11-9(5-8)6-10-13(15)18-12(7-16-2)19-14(10)17-11/h3-6,16H,7H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine?
7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 84634913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).