4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine

C15H17N3O — CID 95846620

IUPAC4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine
SMILESCOc1ccc(-c2cc(C3CNC3)nc(C)n2)cc1
InChIInChI=1S/C15H17N3O/c1-10-17-14(7-15(18-10)12-8-16-9-12)11-3-5-13(19-2)6-4-11/h3-7,12,16H,8-9H2,1-2H3
InChIKeyIQWYTIDOKNGFJL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.15
Rot. Bonds3

About 4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine

4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine (PubChem CID 95846620) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine
PubChem CID95846620
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine
SMILESCOc1ccc(-c2cc(C3CNC3)nc(C)n2)cc1
InChIInChI=1S/C15H17N3O/c1-10-17-14(7-15(18-10)12-8-16-9-12)11-3-5-13(19-2)6-4-11/h3-7,12,16H,8-9H2,1-2H3
InChIKeyIQWYTIDOKNGFJL-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

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Related Compounds

6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 82191981
2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole
CID 105487768
2-methyl-4-(4-methylsulfonylphenyl)-6-[(3S)-pyrrolidin-3-yl]pyrimidine
CID 95825585
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine
CID 177437339
N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 20899006
2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride
CID 118741830
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56703021
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine
CID 95846619
2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol
CID 20898994
N-(azetidin-3-yl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66331245

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine?
The IUPAC name of 4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine (CID 95846620) is 4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine.
What is the SMILES notation for 4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine?
The canonical SMILES for 4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine is COc1ccc(-c2cc(C3CNC3)nc(C)n2)cc1.
What is the InChIKey of 4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine?
The InChIKey is IQWYTIDOKNGFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-17-14(7-15(18-10)12-8-16-9-12)11-3-5-13(19-2)6-4-11/h3-7,12,16H,8-9H2,1-2H3.
What are the key properties of 4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine?
4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine 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 4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine is sourced from PubChem (CID 95846620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).