2-(2-fluoroanilino)pyrimidine-5-carbonitrile

C11H7FN4 — CID 115028622

IUPAC2-(2-fluoroanilino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C11H7FN4/c12-9-3-1-2-4-10(9)16-11-14-6-8(5-13)7-15-11/h1-4,6-7H,(H,14,15,16)
InChIKeyYTDKOODXZLDTAY-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.23
Rot. Bonds2

About 2-(2-fluoroanilino)pyrimidine-5-carbonitrile

2-(2-fluoroanilino)pyrimidine-5-carbonitrile (PubChem CID 115028622) has the molecular formula C11H7FN4 and a molecular weight of 214.20 g/mol. Its IUPAC name is 2-(2-fluoroanilino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(2-fluoroanilino)pyrimidine-5-carbonitrile
PubChem CID115028622
Molecular FormulaC11H7FN4
Molecular Weight214.20 g/mol
Exact Mass214.07
IUPAC Name2-(2-fluoroanilino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C11H7FN4/c12-9-3-1-2-4-10(9)16-11-14-6-8(5-13)7-15-11/h1-4,6-7H,(H,14,15,16)
InChIKeyYTDKOODXZLDTAY-UHFFFAOYSA-N
XLogP2.23
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268383
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
CID 141441581
2-[(5-bromopyrimidin-2-yl)amino]benzonitrile
CID 63874554
2-(2-fluoroanilino)-3H-benzimidazole-5-carbonitrile
CID 82563341
N-[2-[[2-(4-cyano-2-fluoroanilino)-5-fluoropyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 46947003
2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265884
(2-fluorophenyl)cyanamide
CID 54590721
2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259439
5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile
CID 103468059
N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268445
N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 70190585

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)pyrimidine-5-carbonitrile?
The IUPAC name of 2-(2-fluoroanilino)pyrimidine-5-carbonitrile (CID 115028622) is 2-(2-fluoroanilino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(2-fluoroanilino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(2-fluoroanilino)pyrimidine-5-carbonitrile is N#Cc1cnc(Nc2ccccc2F)nc1.
What is the InChIKey of 2-(2-fluoroanilino)pyrimidine-5-carbonitrile?
The InChIKey is YTDKOODXZLDTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4/c12-9-3-1-2-4-10(9)16-11-14-6-8(5-13)7-15-11/h1-4,6-7H,(H,14,15,16).
What are the key properties of 2-(2-fluoroanilino)pyrimidine-5-carbonitrile?
2-(2-fluoroanilino)pyrimidine-5-carbonitrile has a molecular weight of 214.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 115028622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).