N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine

C17H20N4 — CID 105364132

IUPACN-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESc1ccc(-c2ncc(NC3CCN4CCC3C4)cn2)cc1
InChIInChI=1S/C17H20N4/c1-2-4-13(5-3-1)17-18-10-15(11-19-17)20-16-7-9-21-8-6-14(16)12-21/h1-5,10-11,14,16,20H,6-9,12H2
InChIKeyIFJBRSZADCDMJC-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.65
Rot. Bonds3

About N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine

N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364132) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364132
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESc1ccc(-c2ncc(NC3CCN4CCC3C4)cn2)cc1
InChIInChI=1S/C17H20N4/c1-2-4-13(5-3-1)17-18-10-15(11-19-17)20-16-7-9-21-8-6-14(16)12-21/h1-5,10-11,14,16,20H,6-9,12H2
InChIKeyIFJBRSZADCDMJC-UHFFFAOYSA-N
XLogP2.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363663
N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363660
2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol
CID 115972266
N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364008
N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine
CID 107648546
N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine
CID 64751560
N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364370
N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine
CID 112709119
N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 105363779
N-(2-propylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363993
N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364289
1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
CID 131914689

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364132) is N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine is c1ccc(-c2ncc(NC3CCN4CCC3C4)cn2)cc1.
What is the InChIKey of N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is IFJBRSZADCDMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-4-13(5-3-1)17-18-10-15(11-19-17)20-16-7-9-21-8-6-14(16)12-21/h1-5,10-11,14,16,20H,6-9,12H2.
What are the key properties of N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 280.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).