4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile

C20H17FN8 — CID 58459153

IUPAC4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCc1cncc(-n2c(C(C)Nc3ncnc(N)c3C#N)nc3ccc(F)cc32)c1
InChIInChI=1S/C20H17FN8/c1-11-5-14(9-24-8-11)29-17-6-13(21)3-4-16(17)28-20(29)12(2)27-19-15(7-22)18(23)25-10-26-19/h3-6,8-10,12H,1-2H3,(H3,23,25,26,27)
InChIKeyLEAZQMONBCUTFV-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.29
Rot. Bonds4

About 4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 58459153) has the molecular formula C20H17FN8 and a molecular weight of 388.41 g/mol. Its IUPAC name is 4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile
PubChem CID58459153
Molecular FormulaC20H17FN8
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCc1cncc(-n2c(C(C)Nc3ncnc(N)c3C#N)nc3ccc(F)cc32)c1
InChIInChI=1S/C20H17FN8/c1-11-5-14(9-24-8-11)29-17-6-13(21)3-4-16(17)28-20(29)12(2)27-19-15(7-22)18(23)25-10-26-19/h3-6,8-10,12H,1-2H3,(H3,23,25,26,27)
InChIKeyLEAZQMONBCUTFV-UHFFFAOYSA-N
XLogP3.29
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-6-[[(1S)-1-(6-fluoro-1-pyridin-3-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 58459229
4-amino-6-[[(1S)-1-[6-fluoro-1-(5-pyridin-2-yl-3-pyridinyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459331
4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 58459373
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-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile;4-amino-6-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 159749712
4-amino-6-[[(1S)-1-(4,6-difluoro-1-pyridin-3-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 58459274
4-amino-6-[1-[1-(3,5-difluorophenyl)-4,6-difluorobenzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 58459284
4-amino-6-[[(1S)-1-[1-(cyclopropylmethyl)-5-fluorobenzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 158321480
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-[[(1S)-1-[3-(3,5-difluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 70979002
4-amino-6-[1-[3-(3-fluorophenyl)-4-oxopyrrolo[1,2-a][1,3,5]triazin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 70922102
4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 67511449

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile (CID 58459153) is 4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile is Cc1cncc(-n2c(C(C)Nc3ncnc(N)c3C#N)nc3ccc(F)cc32)c1.
What is the InChIKey of 4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is LEAZQMONBCUTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8/c1-11-5-14(9-24-8-11)29-17-6-13(21)3-4-16(17)28-20(29)12(2)27-19-15(7-22)18(23)25-10-26-19/h3-6,8-10,12H,1-2H3,(H3,23,25,26,27).
What are the key properties of 4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 388.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[1-[6-fluoro-1-(5-methyl-3-pyridinyl)benzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 58459153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).