2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine

C15H17N3O — CID 116898690

IUPAC2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine
SMILESCOc1ccc(C)cc1-c1ccnc(C2CNC2)n1
InChIInChI=1S/C15H17N3O/c1-10-3-4-14(19-2)12(7-10)13-5-6-17-15(18-13)11-8-16-9-11/h3-7,11,16H,8-9H2,1-2H3
InChIKeyWNWUOSYYVRCOMB-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.15
Rot. Bonds3

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

2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine (PubChem CID 116898690) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine
PubChem CID116898690
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine
SMILESCOc1ccc(C)cc1-c1ccnc(C2CNC2)n1
InChIInChI=1S/C15H17N3O/c1-10-3-4-14(19-2)12(7-10)13-5-6-17-15(18-13)11-8-16-9-11/h3-7,11,16H,8-9H2,1-2H3
InChIKeyWNWUOSYYVRCOMB-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)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-(2,5-dimethylphenyl)pyrimidine
CID 116898685
2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine
CID 116898706
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899170
2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine
CID 116898684
2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine
CID 116893294
2-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-amine
CID 116897642
2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine
CID 116898708
2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol
CID 116902239
3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899155
1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901561
2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride
CID 71298998

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine (CID 116898690) is 2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine is COc1ccc(C)cc1-c1ccnc(C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine?
The InChIKey is WNWUOSYYVRCOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-3-4-14(19-2)12(7-10)13-5-6-17-15(18-13)11-8-16-9-11/h3-7,11,16H,8-9H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine?
2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 2.15, 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-(2-methoxy-5-methylphenyl)pyrimidine is sourced from PubChem (CID 116898690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).