4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile

C17H15FN6O — CID 129248916

IUPAC4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESCc1c(CCNc2ncnc(N)c2C#N)cc2ccc(F)cn2c1=O
InChIInChI=1S/C17H15FN6O/c1-10-11(6-13-3-2-12(18)8-24(13)17(10)25)4-5-21-16-14(7-19)15(20)22-9-23-16/h2-3,6,8-9H,4-5H2,1H3,(H3,20,21,22,23)
InChIKeyNQSNWLNRXCIWQK-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.65
Rot. Bonds4

About 4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile (PubChem CID 129248916) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is 4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile
PubChem CID129248916
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESCc1c(CCNc2ncnc(N)c2C#N)cc2ccc(F)cn2c1=O
InChIInChI=1S/C17H15FN6O/c1-10-11(6-13-3-2-12(18)8-24(13)17(10)25)4-5-21-16-14(7-19)15(20)22-9-23-16/h2-3,6,8-9H,4-5H2,1H3,(H3,20,21,22,23)
InChIKeyNQSNWLNRXCIWQK-UHFFFAOYSA-N
XLogP1.65
TPSA109.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-6-[2-[7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118627674
4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 129248853
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-[1-[7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118627726
2-[2-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-6-fluoroquinoline-3-carboxylic acid
CID 67124206
4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile
CID 118573159
4-amino-6-[[(1S)-1-[7-fluoro-1-(4-methylphenyl)-4-oxo-3-phenylquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262478
4-amino-6-[2-(7-fluoro-4-oxo-3-phenyl-1H-quinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 118627754
4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 67464456
4-amino-6-[[(1S)-1-[3-cyclopropyl-7-fluoro-1-(4-fluorophenyl)-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 162649761
4-amino-6-[[(1S)-1-[1-cyclopropyl-7-fluoro-3-(4-fluorophenyl)-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262485
2-[(1S)-1-[(6-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-3-(3,5-difluorophenyl)-7-fluoroquinolizin-4-one
CID 140786722

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile (CID 129248916) is 4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile is Cc1c(CCNc2ncnc(N)c2C#N)cc2ccc(F)cn2c1=O.
What is the InChIKey of 4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is NQSNWLNRXCIWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-10-11(6-13-3-2-12(18)8-24(13)17(10)25)4-5-21-16-14(7-19)15(20)22-9-23-16/h2-3,6,8-9H,4-5H2,1H3,(H3,20,21,22,23).
What are the key properties of 4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 338.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 129248916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).