4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine

C42H31ClF4N14 — CID 162189577

IUPAC4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine
SMILESCC(N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.CC(Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.N#Cc1c(N)ncnc1Cl
InChIInChI=1S/C21H15F2N7.C16H13F2N3.C5H3ClN4/c1-11(29-21-16(9-24)20(25)27-10-28-21)15-8-18-17(3-2-4-26-18)30-19(15)12-5-13(22)7-14(23)6-12;1-9(19)13-8-15-14(3-2-4-20-15)21-16(13)10-5-11(17)7-12(18)6-10;6-4-3(1-7)5(8)10-2-9-4/h2-8,10-11H,1H3,(H3,25,27,28,29);2-9H,19H2,1H3;2H,(H2,8,9,10)
InChIKeyZQCSZCAFOKRWFB-UHFFFAOYSA-N
MW843.25 g/mol
LogP8.17
Rot. Bonds6

About 4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine

4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine (PubChem CID 162189577) has the molecular formula C42H31ClF4N14 and a molecular weight of 843.25 g/mol. Its IUPAC name is 4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine.

Molecular Properties

Compound Name4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine
PubChem CID162189577
Molecular FormulaC42H31ClF4N14
Molecular Weight843.25 g/mol
Exact Mass842.25
IUPAC Name4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine
SMILESCC(N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.CC(Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.N#Cc1c(N)ncnc1Cl
InChIInChI=1S/C21H15F2N7.C16H13F2N3.C5H3ClN4/c1-11(29-21-16(9-24)20(25)27-10-28-21)15-8-18-17(3-2-4-26-18)30-19(15)12-5-13(22)7-14(23)6-12;1-9(19)13-8-15-14(3-2-4-20-15)21-16(13)10-5-11(17)7-12(18)6-10;6-4-3(1-7)5(8)10-2-9-4/h2-8,10-11H,1H3,(H3,25,27,28,29);2-9H,19H2,1H3;2H,(H2,8,9,10)
InChIKeyZQCSZCAFOKRWFB-UHFFFAOYSA-N
XLogP8.17
TPSA240.79 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.25
LogP ≤ 58.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine with MolForge

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Related Compounds

4-amino-6-[1-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118981843
4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459371
4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile
CID 130387073
4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile
CID 158313334
1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol
CID 58318640
4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 67511449
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-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 66558681
2,4-diamino-6-[[(1S)-1-[7-fluoro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 130418962
4-amino-6-[[(1R)-1-[6-fluoro-1-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[6-fluoro-1-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 157168454
4-amino-6-[[(1S)-1-[3-chloro-5-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 170069265
4-amino-6-[1-(3-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pyrimidine-5-carbonitrile
CID 139410772

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine?
The IUPAC name of 4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine (CID 162189577) is 4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine.
What is the SMILES notation for 4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine?
The canonical SMILES for 4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine is CC(N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.CC(Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.N#Cc1c(N)ncnc1Cl.
What is the InChIKey of 4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine?
The InChIKey is ZQCSZCAFOKRWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N7.C16H13F2N3.C5H3ClN4/c1-11(29-21-16(9-24)20(25)27-10-28-21)15-8-18-17(3-2-4-26-18)30-19(15)12-5-13(22)7-14(23)6-12;1-9(19)13-8-15-14(3-2-4-20-15)21-16(13)10-5-11(17)7-12(18)6-10;6-4-3(1-7)5(8)10-2-9-4/h2-8,10-11H,1H3,(H3,25,27,28,29);2-9H,19H2,1H3;2H,(H2,8,9,10).
What are the key properties of 4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine?
4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine has a molecular weight of 843.25 g/mol, XLogP of 8.17, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloropyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine is sourced from PubChem (CID 162189577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).