2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine

C15H17N3 — CID 116898685

IUPAC2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
SMILESCc1ccc(C)c(-c2ccnc(C3CNC3)n2)c1
InChIInChI=1S/C15H17N3/c1-10-3-4-11(2)13(7-10)14-5-6-17-15(18-14)12-8-16-9-12/h3-7,12,16H,8-9H2,1-2H3
InChIKeyBMPMYVPPVPVCEZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.45
Rot. Bonds2

About 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine

2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine (PubChem CID 116898685) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
PubChem CID116898685
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
SMILESCc1ccc(C)c(-c2ccnc(C3CNC3)n2)c1
InChIInChI=1S/C15H17N3/c1-10-3-4-11(2)13(7-10)14-5-6-17-15(18-14)12-8-16-9-12/h3-7,12,16H,8-9H2,1-2H3
InChIKeyBMPMYVPPVPVCEZ-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.45
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-(2,5-dimethylphenyl)pyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine (CID 116898685) is 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine is Cc1ccc(C)c(-c2ccnc(C3CNC3)n2)c1.
What is the InChIKey of 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine?
The InChIKey is BMPMYVPPVPVCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-3-4-11(2)13(7-10)14-5-6-17-15(18-14)12-8-16-9-12/h3-7,12,16H,8-9H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine?
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine has a molecular weight of 239.32 g/mol, XLogP of 2.45, 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-(2,5-dimethylphenyl)pyrimidine is sourced from PubChem (CID 116898685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).