5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine

C24H21N3O — CID 139449783

IUPAC5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
SMILESCOc1ccc(-c2nc(N)nc(-c3ccccc3)c2Cc2ccccc2)cc1
InChIInChI=1S/C24H21N3O/c1-28-20-14-12-19(13-15-20)23-21(16-17-8-4-2-5-9-17)22(26-24(25)27-23)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H2,25,26,27)
InChIKeyGFZHYXXZMBDDAD-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.99
Rot. Bonds5

About 5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine

5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine (PubChem CID 139449783) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
PubChem CID139449783
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
SMILESCOc1ccc(-c2nc(N)nc(-c3ccccc3)c2Cc2ccccc2)cc1
InChIInChI=1S/C24H21N3O/c1-28-20-14-12-19(13-15-20)23-21(16-17-8-4-2-5-9-17)22(26-24(25)27-23)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H2,25,26,27)
InChIKeyGFZHYXXZMBDDAD-UHFFFAOYSA-N
XLogP4.99
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine?
The IUPAC name of 5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine (CID 139449783) is 5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for 5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine is COc1ccc(-c2nc(N)nc(-c3ccccc3)c2Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine?
The InChIKey is GFZHYXXZMBDDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-28-20-14-12-19(13-15-20)23-21(16-17-8-4-2-5-9-17)22(26-24(25)27-23)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H2,25,26,27).
What are the key properties of 5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine?
5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine has a molecular weight of 367.45 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 139449783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).