N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine

C16H16N4O — CID 11666313

IUPACN-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)nc1
InChIInChI=1S/C16H16N4O/c1-11-18-14-7-5-4-6-13(14)16(19-11)20(2)15-9-8-12(21-3)10-17-15/h4-10H,1-3H3
InChIKeyUUMCDUFWVPLFRA-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.11
Rot. Bonds3

About N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine

N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine (PubChem CID 11666313) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine
PubChem CID11666313
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)nc1
InChIInChI=1S/C16H16N4O/c1-11-18-14-7-5-4-6-13(14)16(19-11)20(2)15-9-8-12(21-3)10-17-15/h4-10H,1-3H3
InChIKeyUUMCDUFWVPLFRA-UHFFFAOYSA-N
XLogP3.11
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine?
The IUPAC name of N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine (CID 11666313) is N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine is COc1ccc(N(C)c2nc(C)nc3ccccc23)nc1.
What is the InChIKey of N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine?
The InChIKey is UUMCDUFWVPLFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-18-14-7-5-4-6-13(14)16(19-11)20(2)15-9-8-12(21-3)10-17-15/h4-10H,1-3H3.
What are the key properties of N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine?
N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-pyridinyl)-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 11666313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).