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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Related Compounds

4-(3,4-dimethylpyrrolidin-1-yl)-N-methylquinazolin-2-amine
CID 80848720
N-methyl-4-(3-methylpiperidin-1-yl)quinazolin-2-amine
CID 80764711
4-(2,5-dimethylmorpholin-4-yl)-N-methylquinazolin-2-amine
CID 80787211
N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine
CID 80767148
3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one
CID 80833936
N-methyl-4-pyrazol-1-ylquinazolin-2-amine
CID 80854215
N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine
CID 80852984
2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline
CID 146041854
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine
CID 62142512
[4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine
CID 114597968
2,3-bis[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-b]pyrazine
CID 98787854
N-[[1-(2-azabicyclo[2.2.1]heptan-2-yl)isoquinolin-4-yl]methyl]ethanamine
CID 106775701

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).