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

C15H17N3 — CID 116898684

IUPAC2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine
SMILESCc1ccc(-c2ccnc(C3CNC3)n2)cc1C
InChIInChI=1S/C15H17N3/c1-10-3-4-12(7-11(10)2)14-5-6-17-15(18-14)13-8-16-9-13/h3-7,13,16H,8-9H2,1-2H3
InChIKeyPZLGFMJUGNWCBV-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.45
Rot. Bonds2

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

2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine (PubChem CID 116898684) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine
PubChem CID116898684
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine
SMILESCc1ccc(-c2ccnc(C3CNC3)n2)cc1C
InChIInChI=1S/C15H17N3/c1-10-3-4-12(7-11(10)2)14-5-6-17-15(18-14)13-8-16-9-13/h3-7,13,16H,8-9H2,1-2H3
InChIKeyPZLGFMJUGNWCBV-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-(3,4-dimethylphenyl)pyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine (CID 116898684) is 2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine is Cc1ccc(-c2ccnc(C3CNC3)n2)cc1C.
What is the InChIKey of 2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine?
The InChIKey is PZLGFMJUGNWCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-3-4-12(7-11(10)2)14-5-6-17-15(18-14)13-8-16-9-13/h3-7,13,16H,8-9H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine?
2-(azetidin-3-yl)-4-(3,4-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-(3,4-dimethylphenyl)pyrimidine is sourced from PubChem (CID 116898684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).