4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine

C15H18N4 — CID 80805656

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine
SMILESCNc1nc(N2CC3CCC2C3)c2ccccc2n1
InChIInChI=1S/C15H18N4/c1-16-15-17-13-5-3-2-4-12(13)14(18-15)19-9-10-6-7-11(19)8-10/h2-5,10-11H,6-9H2,1H3,(H,16,17,18)
InChIKeyYMMWBRUHGNEVCU-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.66
Rot. Bonds2

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine

4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine (PubChem CID 80805656) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine
PubChem CID80805656
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine
SMILESCNc1nc(N2CC3CCC2C3)c2ccccc2n1
InChIInChI=1S/C15H18N4/c1-16-15-17-13-5-3-2-4-12(13)14(18-15)19-9-10-6-7-11(19)8-10/h2-5,10-11H,6-9H2,1H3,(H,16,17,18)
InChIKeyYMMWBRUHGNEVCU-UHFFFAOYSA-N
XLogP2.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine (CID 80805656) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine is CNc1nc(N2CC3CCC2C3)c2ccccc2n1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine?
The InChIKey is YMMWBRUHGNEVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-16-15-17-13-5-3-2-4-12(13)14(18-15)19-9-10-6-7-11(19)8-10/h2-5,10-11H,6-9H2,1H3,(H,16,17,18).
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine has a molecular weight of 254.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine is sourced from PubChem (CID 80805656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).