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

C16H19N3O — CID 116898706

IUPAC2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine
SMILESCOc1cc(C)c(-c2ccnc(C3CNC3)n2)cc1C
InChIInChI=1S/C16H19N3O/c1-10-7-15(20-3)11(2)6-13(10)14-4-5-18-16(19-14)12-8-17-9-12/h4-7,12,17H,8-9H2,1-3H3
InChIKeyXCFMQMKDMGSHBT-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.46
Rot. Bonds3

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

2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine (PubChem CID 116898706) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine
PubChem CID116898706
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine
SMILESCOc1cc(C)c(-c2ccnc(C3CNC3)n2)cc1C
InChIInChI=1S/C16H19N3O/c1-10-7-15(20-3)11(2)6-13(10)14-4-5-18-16(19-14)12-8-17-9-12/h4-7,12,17H,8-9H2,1-3H3
InChIKeyXCFMQMKDMGSHBT-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine
CID 116898690
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
CID 116898685
2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine
CID 116898684
2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine
CID 116898708
2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine
CID 116898704
4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine
CID 116903924
2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride
CID 71298998
2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine
CID 116898716
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine
CID 116893294
2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 82299850
3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899170

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine (CID 116898706) is 2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine is COc1cc(C)c(-c2ccnc(C3CNC3)n2)cc1C.
What is the InChIKey of 2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine?
The InChIKey is XCFMQMKDMGSHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-7-15(20-3)11(2)6-13(10)14-4-5-18-16(19-14)12-8-17-9-12/h4-7,12,17H,8-9H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine?
2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine has a molecular weight of 269.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine is sourced from PubChem (CID 116898706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).