2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile

C14H19N5 — CID 107552429

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile
SMILESCCN(c1nccc(C#N)n1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H19N5/c1-2-19(14-16-6-5-12(9-15)18-14)13-7-10-3-4-11(8-13)17-10/h5-6,10-11,13,17H,2-4,7-8H2,1H3
InChIKeyGOPPAKQOGAWMJE-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.46
Rot. Bonds3

About 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile

2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107552429) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile
PubChem CID107552429
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile
SMILESCCN(c1nccc(C#N)n1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H19N5/c1-2-19(14-16-6-5-12(9-15)18-14)13-7-10-3-4-11(8-13)17-10/h5-6,10-11,13,17H,2-4,7-8H2,1H3
InChIKeyGOPPAKQOGAWMJE-UHFFFAOYSA-N
XLogP1.46
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyrimidine-4-carbonitrile
CID 107552427
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile
CID 61232349
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine
CID 114789417
N-(4-methylpyrimidin-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55153997
N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 114600871
N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232894
N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62132381
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylfuro[3,2-c]pyridin-4-amine
CID 106535244
N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62138054
2-[ethyl(piperidin-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552798
2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107544379
2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 107543747

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile (CID 107552429) is 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile is CCN(c1nccc(C#N)n1)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is GOPPAKQOGAWMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-19(14-16-6-5-12(9-15)18-14)13-7-10-3-4-11(8-13)17-10/h5-6,10-11,13,17H,2-4,7-8H2,1H3.
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile?
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).