5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine

C14H14F3N3 — CID 134573785

IUPAC5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)c1ccnc(-c2cnc(C(F)(F)F)nc2)c1
InChIInChI=1S/C14H14F3N3/c1-13(2,3)10-4-5-18-11(6-10)9-7-19-12(20-8-9)14(15,16)17/h4-8H,1-3H3
InChIKeyPTOMBDYKAOUSNS-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.85
Rot. Bonds1

About 5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine

5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 134573785) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine
PubChem CID134573785
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)c1ccnc(-c2cnc(C(F)(F)F)nc2)c1
InChIInChI=1S/C14H14F3N3/c1-13(2,3)10-4-5-18-11(6-10)9-7-19-12(20-8-9)14(15,16)17/h4-8H,1-3H3
InChIKeyPTOMBDYKAOUSNS-UHFFFAOYSA-N
XLogP3.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine (CID 134573785) is 5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine is CC(C)(C)c1ccnc(-c2cnc(C(F)(F)F)nc2)c1.
What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is PTOMBDYKAOUSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-13(2,3)10-4-5-18-11(6-10)9-7-19-12(20-8-9)14(15,16)17/h4-8H,1-3H3.
What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine?
5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 281.28 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 134573785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).