4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine

C10H13F3N2 — CID 71195045

IUPAC4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCCc1nc(C(F)(F)F)ncc1C(C)C
InChIInChI=1S/C10H13F3N2/c1-4-8-7(6(2)3)5-14-9(15-8)10(11,12)13/h5-6H,4H2,1-3H3
InChIKeyCWABCVXHBSEIHA-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.18
Rot. Bonds2

About 4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine

4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 71195045) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID71195045
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCCc1nc(C(F)(F)F)ncc1C(C)C
InChIInChI=1S/C10H13F3N2/c1-4-8-7(6(2)3)5-14-9(15-8)10(11,12)13/h5-6H,4H2,1-3H3
InChIKeyCWABCVXHBSEIHA-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 71195045) is 4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine is CCc1nc(C(F)(F)F)ncc1C(C)C.
What is the InChIKey of 4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is CWABCVXHBSEIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-4-8-7(6(2)3)5-14-9(15-8)10(11,12)13/h5-6H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 218.22 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 71195045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).