3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile

C14H12F3N5 — CID 133370478

IUPAC3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile
SMILESCN(CCC#N)c1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C14H12F3N5/c1-22(8-4-6-18)12-9-11(14(15,16)17)20-13(21-12)10-5-2-3-7-19-10/h2-3,5,7,9H,4,8H2,1H3
InChIKeyOVQRWPFVZYRFEW-UHFFFAOYSA-N
MW307.28 g/mol
LogP2.91
Rot. Bonds4

About 3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile

3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile (PubChem CID 133370478) has the molecular formula C14H12F3N5 and a molecular weight of 307.28 g/mol. Its IUPAC name is 3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile
PubChem CID133370478
Molecular FormulaC14H12F3N5
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC Name3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile
SMILESCN(CCC#N)c1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C14H12F3N5/c1-22(8-4-6-18)12-9-11(14(15,16)17)20-13(21-12)10-5-2-3-7-19-10/h2-3,5,7,9H,4,8H2,1H3
InChIKeyOVQRWPFVZYRFEW-UHFFFAOYSA-N
XLogP2.91
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475718
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 134115580
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133378121
N-(2-cyclopropylethyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133398408
N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 2730488
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942
4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 133311585
4-[methyl(pyridin-2-yl)amino]butanenitrile
CID 115231630
N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 133294081
2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133472167
3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile
CID 133370491

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile (CID 133370478) is 3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile is CN(CCC#N)c1cc(C(F)(F)F)nc(-c2ccccn2)n1.
What is the InChIKey of 3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile?
The InChIKey is OVQRWPFVZYRFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5/c1-22(8-4-6-18)12-9-11(14(15,16)17)20-13(21-12)10-5-2-3-7-19-10/h2-3,5,7,9H,4,8H2,1H3.
What are the key properties of 3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile?
3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile has a molecular weight of 307.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile is sourced from PubChem (CID 133370478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).