2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile

C9H9F3N4 — CID 107544133

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile
SMILESCCN(CC(F)(F)F)c1nccc(C#N)n1
InChIInChI=1S/C9H9F3N4/c1-2-16(6-9(10,11)12)8-14-4-3-7(5-13)15-8/h3-4H,2,6H2,1H3
InChIKeyCRTDTBXVBSQNOE-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.74
Rot. Bonds3

About 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile

2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107544133) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile
PubChem CID107544133
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile
SMILESCCN(CC(F)(F)F)c1nccc(C#N)n1
InChIInChI=1S/C9H9F3N4/c1-2-16(6-9(10,11)12)8-14-4-3-7(5-13)15-8/h3-4H,2,6H2,1H3
InChIKeyCRTDTBXVBSQNOE-UHFFFAOYSA-N
XLogP1.74
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
CID 107542879
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetamide
CID 107545435
2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107544863
2-[bis(cyanomethyl)amino]pyrimidine-4-carbonitrile
CID 107543413
2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid
CID 107553694
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544861
2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 107544048
2-[ethyl(piperidin-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552798
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
CID 107544126
2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107543783
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile (CID 107544133) is 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile is CCN(CC(F)(F)F)c1nccc(C#N)n1.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is CRTDTBXVBSQNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-2-16(6-9(10,11)12)8-14-4-3-7(5-13)15-8/h3-4H,2,6H2,1H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile?
2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 230.19 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).