4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine

C9H10F3N3 — CID 169072227

IUPAC4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine
SMILESCc1cnc(C(F)(F)F)nc1N1CCC1
InChIInChI=1S/C9H10F3N3/c1-6-5-13-8(9(10,11)12)14-7(6)15-3-2-4-15/h5H,2-4H2,1H3
InChIKeyLWMZLGPFQBUFIP-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.01
Rot. Bonds1

About 4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine

4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine (PubChem CID 169072227) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine
PubChem CID169072227
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine
SMILESCc1cnc(C(F)(F)F)nc1N1CCC1
InChIInChI=1S/C9H10F3N3/c1-6-5-13-8(9(10,11)12)14-7(6)15-3-2-4-15/h5H,2-4H2,1H3
InChIKeyLWMZLGPFQBUFIP-UHFFFAOYSA-N
XLogP2.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine (CID 169072227) is 4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine is Cc1cnc(C(F)(F)F)nc1N1CCC1.
What is the InChIKey of 4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is LWMZLGPFQBUFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-6-5-13-8(9(10,11)12)14-7(6)15-3-2-4-15/h5H,2-4H2,1H3.
What are the key properties of 4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine?
4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 217.19 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 169072227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).