2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine

C24H20N2O — CID 174577128

IUPAC2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
SMILESc1ccc(COc2ccc(-c3cnc(Cc4ccccc4)nc3)cc2)cc1
InChIInChI=1S/C24H20N2O/c1-3-7-19(8-4-1)15-24-25-16-22(17-26-24)21-11-13-23(14-12-21)27-18-20-9-5-2-6-10-20/h1-14,16-17H,15,18H2
InChIKeyTUVKHVJZHSBAEX-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.31
Rot. Bonds6

About 2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine

2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine (PubChem CID 174577128) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
PubChem CID174577128
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
SMILESc1ccc(COc2ccc(-c3cnc(Cc4ccccc4)nc3)cc2)cc1
InChIInChI=1S/C24H20N2O/c1-3-7-19(8-4-1)15-24-25-16-22(17-26-24)21-11-13-23(14-12-21)27-18-20-9-5-2-6-10-20/h1-14,16-17H,15,18H2
InChIKeyTUVKHVJZHSBAEX-UHFFFAOYSA-N
XLogP5.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole
CID 68649972
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 170838715
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole
CID 11487705
[2-(4-phenylmethoxyphenyl)pyrimidin-5-yl]boronic acid
CID 22446906
5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 116811767
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine?
The IUPAC name of 2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine (CID 174577128) is 2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine.
What is the SMILES notation for 2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine?
The canonical SMILES for 2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine is c1ccc(COc2ccc(-c3cnc(Cc4ccccc4)nc3)cc2)cc1.
What is the InChIKey of 2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine?
The InChIKey is TUVKHVJZHSBAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-3-7-19(8-4-1)15-24-25-16-22(17-26-24)21-11-13-23(14-12-21)27-18-20-9-5-2-6-10-20/h1-14,16-17H,15,18H2.
What are the key properties of 2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine?
2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine has a molecular weight of 352.44 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine is sourced from PubChem (CID 174577128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).