2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine

C8H5F8N3 — CID 2246209

IUPAC2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(N)c(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H5F8N3/c1-2-18-4(6(9,10)8(14,15)16)3(5(17)19-2)7(11,12)13/h1H3,(H2,17,18,19)
InChIKeyFKIPCUVKMZMAFU-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.04
Rot. Bonds1

About 2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine

2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 2246209) has the molecular formula C8H5F8N3 and a molecular weight of 295.13 g/mol. Its IUPAC name is 2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID2246209
Molecular FormulaC8H5F8N3
Molecular Weight295.13 g/mol
Exact Mass295.04
IUPAC Name2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(N)c(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H5F8N3/c1-2-18-4(6(9,10)8(14,15)16)3(5(17)19-2)7(11,12)13/h1H3,(H2,17,18,19)
InChIKeyFKIPCUVKMZMAFU-UHFFFAOYSA-N
XLogP3.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-Ethyl-5-hexylpyrimidine-2,4-diamine
CID 44356853
6-Methyl-5-propylpyrimidine-2,4-diamine
CID 44356854
4-Fluoro-2-methyl-6-pentafluoroethyl-5-trifluoromethylpyrimidine
CID 11130278
4,5-Dimethyl-2,6-bis(trifluoromethyl)pyrimidine
CID 134855968
2,6-Diethyl-5-methylpyrimidin-4-amine
CID 248110
4,6-Dimethyl-5-propyl-2-pyrimidinamine
CID 45064186
4-Ethyl-2,5,6-trimethylpyrimidine
CID 14199147
4-Fluoro-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 5231254
2,4-Bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 12864055
4-Tert-butyl-2,6-bis(trifluoromethyl)pyrimidine
CID 13166297
5-Fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 14112678
4,5,6-Tritert-butyl-2-(trifluoromethyl)pyrimidine
CID 14691551

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 2246209) is 2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine is Cc1nc(N)c(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FKIPCUVKMZMAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F8N3/c1-2-18-4(6(9,10)8(14,15)16)3(5(17)19-2)7(11,12)13/h1H3,(H2,17,18,19).
What are the key properties of 2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine?
2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 295.13 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 2246209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).