5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile

C12H8F3N5 — CID 114563422

IUPAC5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESCNc1nc(-c2cncc(C#N)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H8F3N5/c1-17-11-19-9(3-10(20-11)12(13,14)15)8-2-7(4-16)5-18-6-8/h2-3,5-6H,1H3,(H,17,19,20)
InChIKeyDCHQZDYTNPJXLT-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.47
Rot. Bonds2

About 5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile

5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile (PubChem CID 114563422) has the molecular formula C12H8F3N5 and a molecular weight of 279.23 g/mol. Its IUPAC name is 5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile
PubChem CID114563422
Molecular FormulaC12H8F3N5
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESCNc1nc(-c2cncc(C#N)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H8F3N5/c1-17-11-19-9(3-10(20-11)12(13,14)15)8-2-7(4-16)5-18-6-8/h2-3,5-6H,1H3,(H,17,19,20)
InChIKeyDCHQZDYTNPJXLT-UHFFFAOYSA-N
XLogP2.47
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile (CID 114563422) is 5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile is CNc1nc(-c2cncc(C#N)c2)cc(C(F)(F)F)n1.
What is the InChIKey of 5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is DCHQZDYTNPJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5/c1-17-11-19-9(3-10(20-11)12(13,14)15)8-2-7(4-16)5-18-6-8/h2-3,5-6H,1H3,(H,17,19,20).
What are the key properties of 5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile?
5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 279.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 114563422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).