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

C38H30F2N16 — CID 159749712

IUPAC4-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
SMILESCC(Nc1ncnc(N)c1C#N)c1nc2cc(F)ccc2n1-c1ccccn1.CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccn1
InChIInChI=1S/2C19H15FN8/c1-11(26-18-13(9-21)17(22)24-10-25-18)19-27-14-8-12(20)5-6-15(14)28(19)16-4-2-3-7-23-16;1-11(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*2-8,10-11H,1H3,(H3,22,24,25,26)
InChIKeyNDMOPNXYFMDJGR-UHFFFAOYSA-N
MW748.77 g/mol
LogP5.95
Rot. Bonds8

About 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

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 (PubChem CID 159749712) has the molecular formula C38H30F2N16 and a molecular weight of 748.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159749712
Molecular FormulaC38H30F2N16
Molecular Weight748.77 g/mol
Exact Mass748.28
IUPAC Name4-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
SMILESCC(Nc1ncnc(N)c1C#N)c1nc2cc(F)ccc2n1-c1ccccn1.CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccn1
InChIInChI=1S/2C19H15FN8/c1-11(26-18-13(9-21)17(22)24-10-25-18)19-27-14-8-12(20)5-6-15(14)28(19)16-4-2-3-7-23-16;1-11(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*2-8,10-11H,1H3,(H3,22,24,25,26)
InChIKeyNDMOPNXYFMDJGR-UHFFFAOYSA-N
XLogP5.95
TPSA236.66 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500748.77
LogP ≤ 55.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(Nc1ncnc(N)c1C#N)c1nc2cc(F)ccc2n1-c1ccccn1.CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccn1.
What is the InChIKey of 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?
The InChIKey is NDMOPNXYFMDJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15FN8/c1-11(26-18-13(9-21)17(22)24-10-25-18)19-27-14-8-12(20)5-6-15(14)28(19)16-4-2-3-7-23-16;1-11(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*2-8,10-11H,1H3,(H3,22,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 748.77 g/mol, XLogP of 5.95, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159749712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).