2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine

C16H21N5 — CID 61235559

IUPAC2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine
SMILESNc1nc(CN2C3CCC2CC(N)C3)nc2ccccc12
InChIInChI=1S/C16H21N5/c17-10-7-11-5-6-12(8-10)21(11)9-15-19-14-4-2-1-3-13(14)16(18)20-15/h1-4,10-12H,5-9,17H2,(H2,18,19,20)
InChIKeyXVYCXSNZZSSWAL-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.67
Rot. Bonds2

About 2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine

2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine (PubChem CID 61235559) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine
PubChem CID61235559
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine
SMILESNc1nc(CN2C3CCC2CC(N)C3)nc2ccccc12
InChIInChI=1S/C16H21N5/c17-10-7-11-5-6-12(8-10)21(11)9-15-19-14-4-2-1-3-13(14)16(18)20-15/h1-4,10-12H,5-9,17H2,(H2,18,19,20)
InChIKeyXVYCXSNZZSSWAL-UHFFFAOYSA-N
XLogP1.67
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine (CID 61235559) is 2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine is Nc1nc(CN2C3CCC2CC(N)C3)nc2ccccc12.
What is the InChIKey of 2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine?
The InChIKey is XVYCXSNZZSSWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-10-7-11-5-6-12(8-10)21(11)9-15-19-14-4-2-1-3-13(14)16(18)20-15/h1-4,10-12H,5-9,17H2,(H2,18,19,20).
What are the key properties of 2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine?
2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 61235559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).