2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile

C23H20N6O — CID 175700547

IUPAC2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1nc(N)ncc1C#N)c1c(-c2ccccc2)n(C)c2ccccc2c1=O
InChIInChI=1S/C23H20N6O/c1-14(27-22-16(12-24)13-26-23(25)28-22)19-20(15-8-4-3-5-9-15)29(2)18-11-7-6-10-17(18)21(19)30/h3-11,13-14H,1-2H3,(H3,25,26,27,28)
InChIKeyJDMZVZRGPGXLIF-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.62
Rot. Bonds4

About 2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile

2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile (PubChem CID 175700547) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
PubChem CID175700547
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1nc(N)ncc1C#N)c1c(-c2ccccc2)n(C)c2ccccc2c1=O
InChIInChI=1S/C23H20N6O/c1-14(27-22-16(12-24)13-26-23(25)28-22)19-20(15-8-4-3-5-9-15)29(2)18-11-7-6-10-17(18)21(19)30/h3-11,13-14H,1-2H3,(H3,25,26,27,28)
InChIKeyJDMZVZRGPGXLIF-UHFFFAOYSA-N
XLogP3.62
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-[1-(8-fluoro-4-oxo-2-phenyl-1H-quinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 175700540
2-amino-4-[[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 71291792
2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 118494006
2-amino-4-[1-(4-oxo-3-phenylpyrrolo[1,2-a][1,3,5]triazin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 70978927
2-amino-4-[1-(1-oxo-2-phenyl-8-prop-1-ynylisoquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 78047176
2,4-diamino-6-[1-(4-oxo-2-phenylchromen-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 122542387
2-amino-4-[1-[8-(1-methyl-6-oxo-2-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
CID 78047199
3-[3-[1-[(2-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-1-oxo-2-phenylisoquinolin-8-yl]benzenesulfonamide
CID 78047126
2-amino-4-[1-[5-(4-chlorophenyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118493967
2-amino-4-[[(1S)-1-[8-(3-fluorophenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 71275968
2-amino-4-[1-[8-(2-methylpyrimidin-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
CID 78047066
2-amino-4-[[(1S)-1-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262535

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile (CID 175700547) is 2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile is CC(Nc1nc(N)ncc1C#N)c1c(-c2ccccc2)n(C)c2ccccc2c1=O.
What is the InChIKey of 2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is JDMZVZRGPGXLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-14(27-22-16(12-24)13-26-23(25)28-22)19-20(15-8-4-3-5-9-15)29(2)18-11-7-6-10-17(18)21(19)30/h3-11,13-14H,1-2H3,(H3,25,26,27,28).
What are the key properties of 2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile?
2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 396.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(1-methyl-4-oxo-2-phenylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 175700547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).