1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile

C9H3FN6 — CID 104606645

IUPAC1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ncc(F)cn2)c1C#N
InChIInChI=1S/C9H3FN6/c10-6-3-13-9(14-4-6)16-5-15-7(1-11)8(16)2-12/h3-5H
InChIKeyHNBRRHRIBNUDNZ-UHFFFAOYSA-N
MW214.16 g/mol
LogP0.54
Rot. Bonds1

About 1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile

1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile (PubChem CID 104606645) has the molecular formula C9H3FN6 and a molecular weight of 214.16 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile
PubChem CID104606645
Molecular FormulaC9H3FN6
Molecular Weight214.16 g/mol
Exact Mass214.04
IUPAC Name1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ncc(F)cn2)c1C#N
InChIInChI=1S/C9H3FN6/c10-6-3-13-9(14-4-6)16-5-15-7(1-11)8(16)2-12/h3-5H
InChIKeyHNBRRHRIBNUDNZ-UHFFFAOYSA-N
XLogP0.54
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 103594391
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594849
1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile
CID 112595850
1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
CID 112595092
1-(2-amino-5-chloro-4-fluorophenyl)imidazole-4,5-dicarbonitrile
CID 114089127
1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595880
1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 115945020
1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595882
1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 103583527
4-(4,5-dicyanoimidazol-1-yl)-3-fluorobenzoic acid
CID 112595426
1-(2,3-difluoro-6-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 115945037

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile (CID 104606645) is 1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(-c2ncc(F)cn2)c1C#N.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile?
The InChIKey is HNBRRHRIBNUDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3FN6/c10-6-3-13-9(14-4-6)16-5-15-7(1-11)8(16)2-12/h3-5H.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile?
1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile has a molecular weight of 214.16 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 104606645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).