4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile

C19H15FN8 — CID 58459373

IUPAC4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccn1
InChIInChI=1S/C19H15FN8/c1-11(26-18-13(9-21)17(22)24-10-25-18)19-27-14-6-5-12(20)8-15(14)28(19)16-4-2-3-7-23-16/h2-8,10-11H,1H3,(H3,22,24,25,26)/t11-/m1/s1
InChIKeyCJJJMUGTTBYKLR-LLVKDONJSA-N
MW374.38 g/mol
LogP2.98
Rot. Bonds4

About 4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile

4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile (PubChem CID 58459373) has the molecular formula C19H15FN8 and a molecular weight of 374.38 g/mol. Its IUPAC name is 4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
PubChem CID58459373
Molecular FormulaC19H15FN8
Molecular Weight374.38 g/mol
Exact Mass374.14
IUPAC Name4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccn1
InChIInChI=1S/C19H15FN8/c1-11(26-18-13(9-21)17(22)24-10-25-18)19-27-14-6-5-12(20)8-15(14)28(19)16-4-2-3-7-23-16/h2-8,10-11H,1H3,(H3,22,24,25,26)/t11-/m1/s1
InChIKeyCJJJMUGTTBYKLR-LLVKDONJSA-N
XLogP2.98
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile (CID 58459373) is 4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile is C[C@@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccn1.
What is the InChIKey of 4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is CJJJMUGTTBYKLR-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15FN8/c1-11(26-18-13(9-21)17(22)24-10-25-18)19-27-14-6-5-12(20)8-15(14)28(19)16-4-2-3-7-23-16/h2-8,10-11H,1H3,(H3,22,24,25,26)/t11-/m1/s1.
What are the key properties of 4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile?
4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 374.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 58459373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).