2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile

C23H19FN6O — CID 129248363

IUPAC2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESCc1c(CCNc2nc(N)ncc2C#N)c(-c2ccccc2)c(=O)n2cc(F)ccc12
InChIInChI=1S/C23H19FN6O/c1-14-18(9-10-27-21-16(11-25)12-28-23(26)29-21)20(15-5-3-2-4-6-15)22(31)30-13-17(24)7-8-19(14)30/h2-8,12-13H,9-10H2,1H3,(H3,26,27,28,29)
InChIKeyZYHQSKUECPXPHU-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.31
Rot. Bonds5

About 2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile

2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile (PubChem CID 129248363) has the molecular formula C23H19FN6O and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile
PubChem CID129248363
Molecular FormulaC23H19FN6O
Molecular Weight414.44 g/mol
Exact Mass414.16
IUPAC Name2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESCc1c(CCNc2nc(N)ncc2C#N)c(-c2ccccc2)c(=O)n2cc(F)ccc12
InChIInChI=1S/C23H19FN6O/c1-14-18(9-10-27-21-16(11-25)12-28-23(26)29-21)20(15-5-3-2-4-6-15)22(31)30-13-17(24)7-8-19(14)30/h2-8,12-13H,9-10H2,1H3,(H3,26,27,28,29)
InChIKeyZYHQSKUECPXPHU-UHFFFAOYSA-N
XLogP3.31
TPSA109.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 129248270
4-amino-6-[2-[1-(3,5-difluorophenyl)-7-fluoro-4-oxo-3-phenylquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 129248493
4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 129248853
2-amino-4-[[(1S)-1-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262535
2,4-diamino-6-[[(1S)-1-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 129262526
4-amino-6-[[(1S)-1-[7-fluoro-1-(4-methylphenyl)-4-oxo-3-phenylquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262478
2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one
CID 129262508
2,4-diamino-6-[[(1S)-1-[7-fluoro-1-(4-methoxyphenyl)-4-oxo-3-phenylquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262525
4-amino-6-[2-[7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118627674
4-[2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-7-fluoro-4-oxo-3-phenylquinolizin-1-yl]benzoic acid
CID 129248635
2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile
CID 175700533
4-[2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-7-fluoro-4-oxo-3-phenylquinolizin-1-yl]benzamide
CID 129248480

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile (CID 129248363) is 2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile is Cc1c(CCNc2nc(N)ncc2C#N)c(-c2ccccc2)c(=O)n2cc(F)ccc12.
What is the InChIKey of 2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is ZYHQSKUECPXPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O/c1-14-18(9-10-27-21-16(11-25)12-28-23(26)29-21)20(15-5-3-2-4-6-15)22(31)30-13-17(24)7-8-19(14)30/h2-8,12-13H,9-10H2,1H3,(H3,26,27,28,29).
What are the key properties of 2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 414.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 129248363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).