6-(2-fluoroethylamino)pyrimidine-4-carbonitrile

C7H7FN4 — CID 130478010

IUPAC6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCCF)ncn1
InChIInChI=1S/C7H7FN4/c8-1-2-10-7-3-6(4-9)11-5-12-7/h3,5H,1-2H2,(H,10,11,12)
InChIKeyMHSLVNZJSSHTAV-UHFFFAOYSA-N
MW166.16 g/mol
LogP0.73
Rot. Bonds3

About 6-(2-fluoroethylamino)pyrimidine-4-carbonitrile

6-(2-fluoroethylamino)pyrimidine-4-carbonitrile (PubChem CID 130478010) has the molecular formula C7H7FN4 and a molecular weight of 166.16 g/mol. Its IUPAC name is 6-(2-fluoroethylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
PubChem CID130478010
Molecular FormulaC7H7FN4
Molecular Weight166.16 g/mol
Exact Mass166.07
IUPAC Name6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCCF)ncn1
InChIInChI=1S/C7H7FN4/c8-1-2-10-7-3-6(4-9)11-5-12-7/h3,5H,1-2H2,(H,10,11,12)
InChIKeyMHSLVNZJSSHTAV-UHFFFAOYSA-N
XLogP0.73
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
CID 115143037
6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
CID 130551187
3-[(6-cyanopyrimidin-4-yl)amino]propanamide
CID 126973504
6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
CID 115143093
6-[[(E)-4-aminobut-2-enyl]amino]pyrimidine-4-carbonitrile
CID 130551443
6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile
CID 130551444
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
CID 115143046
6-(methylamino)pyrimidine-4-carbonitrile
CID 22498876
6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile
CID 167867833
6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile
CID 130551438
6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile
CID 115143084
6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142887

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(2-fluoroethylamino)pyrimidine-4-carbonitrile (CID 130478010) is 6-(2-fluoroethylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(2-fluoroethylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(2-fluoroethylamino)pyrimidine-4-carbonitrile is N#Cc1cc(NCCF)ncn1.
What is the InChIKey of 6-(2-fluoroethylamino)pyrimidine-4-carbonitrile?
The InChIKey is MHSLVNZJSSHTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN4/c8-1-2-10-7-3-6(4-9)11-5-12-7/h3,5H,1-2H2,(H,10,11,12).
What are the key properties of 6-(2-fluoroethylamino)pyrimidine-4-carbonitrile?
6-(2-fluoroethylamino)pyrimidine-4-carbonitrile has a molecular weight of 166.16 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 130478010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).