4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile

C20H16FN7 — CID 67464456

IUPAC4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1NCCc1nc2ccc(F)cc2n1-c1ccccc1
InChIInChI=1S/C20H16FN7/c21-13-6-7-16-17(10-13)28(14-4-2-1-3-5-14)18(27-16)8-9-24-20-15(11-22)19(23)25-12-26-20/h1-7,10,12H,8-9H2,(H3,23,24,25,26)
InChIKeyPELIWPCAJPURSV-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.06
Rot. Bonds5

About 4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile (PubChem CID 67464456) has the molecular formula C20H16FN7 and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile
PubChem CID67464456
Molecular FormulaC20H16FN7
Molecular Weight373.40 g/mol
Exact Mass373.15
IUPAC Name4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1NCCc1nc2ccc(F)cc2n1-c1ccccc1
InChIInChI=1S/C20H16FN7/c21-13-6-7-16-17(10-13)28(14-4-2-1-3-5-14)18(27-16)8-9-24-20-15(11-22)19(23)25-12-26-20/h1-7,10,12H,8-9H2,(H3,23,24,25,26)
InChIKeyPELIWPCAJPURSV-UHFFFAOYSA-N
XLogP3.06
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile (CID 67464456) is 4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile is N#Cc1c(N)ncnc1NCCc1nc2ccc(F)cc2n1-c1ccccc1.
What is the InChIKey of 4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is PELIWPCAJPURSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7/c21-13-6-7-16-17(10-13)28(14-4-2-1-3-5-14)18(27-16)8-9-24-20-15(11-22)19(23)25-12-26-20/h1-7,10,12H,8-9H2,(H3,23,24,25,26).
What are the key properties of 4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 373.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 67464456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).