2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine

C13H17F3N2 — CID 143705936

IUPAC2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine
SMILESCCCc1c(CC)nc(C2CC2)nc1C(F)(F)F
InChIInChI=1S/C13H17F3N2/c1-3-5-9-10(4-2)17-12(8-6-7-8)18-11(9)13(14,15)16/h8H,3-7H2,1-2H3
InChIKeyNWLDGFRIJGEDDI-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.89
Rot. Bonds4

About 2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine

2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine (PubChem CID 143705936) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine
PubChem CID143705936
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine
SMILESCCCc1c(CC)nc(C2CC2)nc1C(F)(F)F
InChIInChI=1S/C13H17F3N2/c1-3-5-9-10(4-2)17-12(8-6-7-8)18-11(9)13(14,15)16/h8H,3-7H2,1-2H3
InChIKeyNWLDGFRIJGEDDI-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 640492
2-pyrrolidin-1-yl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 1872644
2-Chloro-4,6-dimethyl-5-(2-methylpropyl)pyrimidine
CID 73994643
2-Piperidyl-4-(trifluoromethyl)-5,6,7,8,9-pentahydrocyclohepta[2,1-d]pyrimidin e
CID 17382094
6-Ethyl-5-hexylpyrimidine-2,4-diamine
CID 44356853
6-Methyl-5-propylpyrimidine-2,4-diamine
CID 44356854
4-Amino-2-methyl-6-pentafluoroethyl-5-trifluoromethylpyrimidine
CID 2246209
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
6,7-Dihydro-2,4-dimethyl-5H-cyclopentapyrimidine
CID 13111292

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine (CID 143705936) is 2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine is CCCc1c(CC)nc(C2CC2)nc1C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is NWLDGFRIJGEDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-3-5-9-10(4-2)17-12(8-6-7-8)18-11(9)13(14,15)16/h8H,3-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine?
2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 258.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 143705936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).