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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Related Compounds

5-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-4-yl]pyridine-3-carbonitrile
CID 136802883
5-[2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-yl]pyridine-3-carbonitrile
CID 106520036
5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile
CID 80933313
N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563283
N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563377
5-(6-fluoro-2-pyridinyl)pyridine-3-carbonitrile
CID 71303551
N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830696
5-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyridine-3-carbonitrile
CID 80952747
4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563489
4-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]benzonitrile
CID 134201873
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203
N-methyl-4-(1-methylimidazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563336

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).