4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile

C22H18N6 — CID 68910111

IUPAC4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1ncnc(N)c1C#N)c1ncc2ccccc2c1-c1ccccc1
InChIInChI=1S/C22H18N6/c1-14(28-22-18(11-23)21(24)26-13-27-22)20-19(15-7-3-2-4-8-15)17-10-6-5-9-16(17)12-25-20/h2-10,12-14H,1H3,(H3,24,26,27,28)/t14-/m1/s1
InChIKeyVQOVHGYUMWPNTC-CQSZACIVSA-N
MW366.43 g/mol
LogP4.32
Rot. Bonds4

About 4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile

4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile (PubChem CID 68910111) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
PubChem CID68910111
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1ncnc(N)c1C#N)c1ncc2ccccc2c1-c1ccccc1
InChIInChI=1S/C22H18N6/c1-14(28-22-18(11-23)21(24)26-13-27-22)20-19(15-7-3-2-4-8-15)17-10-6-5-9-16(17)12-25-20/h2-10,12-14H,1H3,(H3,24,26,27,28)/t14-/m1/s1
InChIKeyVQOVHGYUMWPNTC-CQSZACIVSA-N
XLogP4.32
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-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

4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 68907323
4-amino-6-[[(1R)-1-[6-fluoro-4-(iodomethoxy)-3-phenylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 89007559
4-amino-6-[1-(4-oxo-2-phenyl-1H-quinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 122542391
4-amino-6-[[(1S)-1-[6-fluoro-3-phenyl-4-(piperazin-1-ylmethyl)quinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118893390
4-amino-6-[1-(3-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pyrimidine-5-carbonitrile
CID 139410772
4-amino-6-[[(1S)-1-[4-(3-cyanophenyl)-6-fluoroquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 68910830
4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 67511449
4-amino-6-[1-[1-oxo-4-(1H-pyrazol-4-yl)isochromen-3-yl]ethylamino]pyrimidine-5-carbonitrile;hydrochloride
CID 118131355
4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 170069070
4-amino-6-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 71274081
4-amino-6-[1-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 67433864
2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-N-benzyl-5-fluoroquinoline-3-carboxamide
CID 67124405

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile (CID 68910111) is 4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile is C[C@@H](Nc1ncnc(N)c1C#N)c1ncc2ccccc2c1-c1ccccc1.
What is the InChIKey of 4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is VQOVHGYUMWPNTC-CQSZACIVSA-N. The full InChI is InChI=1S/C22H18N6/c1-14(28-22-18(11-23)21(24)26-13-27-22)20-19(15-7-3-2-4-8-15)17-10-6-5-9-16(17)12-25-20/h2-10,12-14H,1H3,(H3,24,26,27,28)/t14-/m1/s1.
What are the key properties of 4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile?
4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 366.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 68910111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).