6,9-dimethylpyrimido[4,5-b]quinolin-2-amine

C13H12N4 — CID 84624592

IUPAC6,9-dimethylpyrimido[4,5-b]quinolin-2-amine
SMILESCc1ccc(C)c2nc3nc(N)ncc3cc12
InChIInChI=1S/C13H12N4/c1-7-3-4-8(2)11-10(7)5-9-6-15-13(14)17-12(9)16-11/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyOZBMUUHQLINXHB-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.38
Rot. Bonds

About 6,9-dimethylpyrimido[4,5-b]quinolin-2-amine

6,9-dimethylpyrimido[4,5-b]quinolin-2-amine (PubChem CID 84624592) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 6,9-dimethylpyrimido[4,5-b]quinolin-2-amine.

Molecular Properties

Compound Name6,9-dimethylpyrimido[4,5-b]quinolin-2-amine
PubChem CID84624592
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name6,9-dimethylpyrimido[4,5-b]quinolin-2-amine
SMILESCc1ccc(C)c2nc3nc(N)ncc3cc12
InChIInChI=1S/C13H12N4/c1-7-3-4-8(2)11-10(7)5-9-6-15-13(14)17-12(9)16-11/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyOZBMUUHQLINXHB-UHFFFAOYSA-N
XLogP2.38
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methylquinazolin-2-amine;molecular hydrogen
CID 142590391
pyrimido[4,5-b]quinolin-2-amine
CID 10987174
pyrido[2,3-d]pyrimidine-2,7-diamine
CID 22134678
ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine
CID 91413319
7-bromopyrimido[4,5-b]quinolin-2-amine
CID 84642075
5,8-dimethylquinolin-3-ol
CID 10035073
5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine
CID 28809377
5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride
CID 43866018
2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine
CID 84634645
N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine
CID 84629127
5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine
CID 171660570
5-fluoro-3,8-dimethylquinolin-2-amine
CID 63231677

Frequently Asked Questions

What is the IUPAC name of 6,9-dimethylpyrimido[4,5-b]quinolin-2-amine?
The IUPAC name of 6,9-dimethylpyrimido[4,5-b]quinolin-2-amine (CID 84624592) is 6,9-dimethylpyrimido[4,5-b]quinolin-2-amine.
What is the SMILES notation for 6,9-dimethylpyrimido[4,5-b]quinolin-2-amine?
The canonical SMILES for 6,9-dimethylpyrimido[4,5-b]quinolin-2-amine is Cc1ccc(C)c2nc3nc(N)ncc3cc12.
What is the InChIKey of 6,9-dimethylpyrimido[4,5-b]quinolin-2-amine?
The InChIKey is OZBMUUHQLINXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-7-3-4-8(2)11-10(7)5-9-6-15-13(14)17-12(9)16-11/h3-6H,1-2H3,(H2,14,15,16,17).
What are the key properties of 6,9-dimethylpyrimido[4,5-b]quinolin-2-amine?
6,9-dimethylpyrimido[4,5-b]quinolin-2-amine has a molecular weight of 224.27 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethylpyrimido[4,5-b]quinolin-2-amine is sourced from PubChem (CID 84624592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).