5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine

C10H13F3N2 — CID 59539527

IUPAC5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H13F3N2/c1-9(2,3)4-7-5-14-8(15-6-7)10(11,12)13/h5-6H,4H2,1-3H3
InChIKeyDHINAMTZKREZSP-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.08
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine

5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 59539527) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine
PubChem CID59539527
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H13F3N2/c1-9(2,3)4-7-5-14-8(15-6-7)10(11,12)13/h5-6H,4H2,1-3H3
InChIKeyDHINAMTZKREZSP-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Heptafluoropropyl)pyrimidine
CID 119085065
2-Chloro-5-propylpyrimidine
CID 2735784
2-Chloro-5-pentylpyrimidine
CID 16756526
3-(Pyrimidin-5-yl)propan-1-amine
CID 15703007
2-Chloro-5-decylpyrimidine
CID 22099083
5-Butyl-2-pyrimidinamine
CID 45071698
5-Pyrimidinepropanamine hydrochloride (1:1)
CID 122235941
4-(4,4-Difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine
CID 50982072
2-Methyl-5-ethylpyrimidine
CID 12356147
5-Butylpyrimidine
CID 18952838
4-Chloro-2-methyl-5-propylpyrimidine
CID 28064543
2-Azido-5-n-butylpyrimidin
CID 23278869

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine (CID 59539527) is 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine is CC(C)(C)Cc1cnc(C(F)(F)F)nc1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is DHINAMTZKREZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-9(2,3)4-7-5-14-8(15-6-7)10(11,12)13/h5-6H,4H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine?
5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 218.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 59539527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).