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

C63H45F6N21 — CID 157466149

IUPAC4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/3C21H15F2N7/c3*1-11(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/h3*2-8,10-11H,1H3,(H3,25,27,28,29)/t2*11-;/m10./s1
InChIKeyBUMRPGQMNZIZGF-SJNRJLCUSA-N
MW1210.19 g/mol
LogP11.98
Rot. Bonds12

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

4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 157466149) has the molecular formula C63H45F6N21 and a molecular weight of 1210.19 g/mol. Its IUPAC name is 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile
PubChem CID157466149
Molecular FormulaC63H45F6N21
Molecular Weight1210.19 g/mol
Exact Mass1209.41
IUPAC Name4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/3C21H15F2N7/c3*1-11(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/h3*2-8,10-11H,1H3,(H3,25,27,28,29)/t2*11-;/m10./s1
InChIKeyBUMRPGQMNZIZGF-SJNRJLCUSA-N
XLogP11.98
TPSA340.20 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001210.19
LogP ≤ 511.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

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

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Related Compounds

7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
6-(2-Fluoropyridin-4-Yl)pyrido[3,2-D]pyrimidin-4-Amine
CID 72703518
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310209
US11420970, Example 198
CID 156073186
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
(4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-pyrido[3,2-d]pyrimidin-4-yl]amine
CID 10151288
4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine
CID 24898751
3-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)pyrido[2,3-b]pyrazin-8-amine
CID 46203867
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-phenyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145975282
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779
N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile (CID 157466149) is 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile is CC(Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is BUMRPGQMNZIZGF-SJNRJLCUSA-N. The full InChI is InChI=1S/3C21H15F2N7/c3*1-11(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/h3*2-8,10-11H,1H3,(H3,25,27,28,29)/t2*11-;/m10./s1.
What are the key properties of 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 1210.19 g/mol, XLogP of 11.98, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 157466149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).