2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine

C13H11F2N3 — CID 116898716

IUPAC2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine
SMILESFc1ccc(-c2ccnc(C3CNC3)n2)c(F)c1
InChIInChI=1S/C13H11F2N3/c14-9-1-2-10(11(15)5-9)12-3-4-17-13(18-12)8-6-16-7-8/h1-5,8,16H,6-7H2
InChIKeyNYOACXMWNVGRFH-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.11
Rot. Bonds2

About 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine

2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine (PubChem CID 116898716) has the molecular formula C13H11F2N3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine
PubChem CID116898716
Molecular FormulaC13H11F2N3
Molecular Weight247.25 g/mol
Exact Mass247.09
IUPAC Name2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine
SMILESFc1ccc(-c2ccnc(C3CNC3)n2)c(F)c1
InChIInChI=1S/C13H11F2N3/c14-9-1-2-10(11(15)5-9)12-3-4-17-13(18-12)8-6-16-7-8/h1-5,8,16H,6-7H2
InChIKeyNYOACXMWNVGRFH-UHFFFAOYSA-N
XLogP2.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine (CID 116898716) is 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine is Fc1ccc(-c2ccnc(C3CNC3)n2)c(F)c1.
What is the InChIKey of 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine?
The InChIKey is NYOACXMWNVGRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3/c14-9-1-2-10(11(15)5-9)12-3-4-17-13(18-12)8-6-16-7-8/h1-5,8,16H,6-7H2.
What are the key properties of 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine?
2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine has a molecular weight of 247.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine is sourced from PubChem (CID 116898716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).