2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine

C17H21N3 — CID 116898708

IUPAC2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine
SMILESCc1cc(C)c(C)c(-c2ccnc(C3CNC3)n2)c1C
InChIInChI=1S/C17H21N3/c1-10-7-11(2)13(4)16(12(10)3)15-5-6-19-17(20-15)14-8-18-9-14/h5-7,14,18H,8-9H2,1-4H3
InChIKeyREOHZIWAWDLLGZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.06
Rot. Bonds2

About 2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine

2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine (PubChem CID 116898708) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine
PubChem CID116898708
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine
SMILESCc1cc(C)c(C)c(-c2ccnc(C3CNC3)n2)c1C
InChIInChI=1S/C17H21N3/c1-10-7-11(2)13(4)16(12(10)3)15-5-6-19-17(20-15)14-8-18-9-14/h5-7,14,18H,8-9H2,1-4H3
InChIKeyREOHZIWAWDLLGZ-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine (CID 116898708) is 2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine is Cc1cc(C)c(C)c(-c2ccnc(C3CNC3)n2)c1C.
What is the InChIKey of 2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine?
The InChIKey is REOHZIWAWDLLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-10-7-11(2)13(4)16(12(10)3)15-5-6-19-17(20-15)14-8-18-9-14/h5-7,14,18H,8-9H2,1-4H3.
What are the key properties of 2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine?
2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine has a molecular weight of 267.38 g/mol, XLogP of 3.06, 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-(2,3,5,6-tetramethylphenyl)pyrimidine is sourced from PubChem (CID 116898708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).