6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile

C7H5F3N4 — CID 130551187

IUPAC6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCC(F)(F)F)ncn1
InChIInChI=1S/C7H5F3N4/c8-7(9,10)3-12-6-1-5(2-11)13-4-14-6/h1,4H,3H2,(H,12,13,14)
InChIKeyVBNKSDAKFDLPTR-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.32
Rot. Bonds2

About 6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile

6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile (PubChem CID 130551187) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
PubChem CID130551187
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCC(F)(F)F)ncn1
InChIInChI=1S/C7H5F3N4/c8-7(9,10)3-12-6-1-5(2-11)13-4-14-6/h1,4H,3H2,(H,12,13,14)
InChIKeyVBNKSDAKFDLPTR-UHFFFAOYSA-N
XLogP1.32
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
CID 130478010
6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
CID 115143037
6-[[2-(4-bromophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
CID 115143141
6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 61278965
6-(methylamino)pyrimidine-4-carbonitrile
CID 22498876
6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
CID 166229612
6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
CID 115143093
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
6-[[(E)-4-aminobut-2-enyl]amino]pyrimidine-4-carbonitrile
CID 130551443
6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile
CID 130551444
3-[(6-cyanopyrimidin-4-yl)amino]propanamide
CID 126973504
6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile
CID 130551438

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile (CID 130551187) is 6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile is N#Cc1cc(NCC(F)(F)F)ncn1.
What is the InChIKey of 6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile?
The InChIKey is VBNKSDAKFDLPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c8-7(9,10)3-12-6-1-5(2-11)13-4-14-6/h1,4H,3H2,(H,12,13,14).
What are the key properties of 6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile?
6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile has a molecular weight of 202.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 130551187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).