5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine

C25H23N3O2 — CID 139449734

IUPAC5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2nc(N)nc(-c3ccc(OC)cc3)c2Cc2ccccc2)cc1
InChIInChI=1S/C25H23N3O2/c1-29-20-12-8-18(9-13-20)23-22(16-17-6-4-3-5-7-17)24(28-25(26)27-23)19-10-14-21(30-2)15-11-19/h3-15H,16H2,1-2H3,(H2,26,27,28)
InChIKeyBNCMHEVQFHCXGN-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.00
Rot. Bonds6

About 5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine

5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 139449734) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID139449734
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2nc(N)nc(-c3ccc(OC)cc3)c2Cc2ccccc2)cc1
InChIInChI=1S/C25H23N3O2/c1-29-20-12-8-18(9-13-20)23-22(16-17-6-4-3-5-7-17)24(28-25(26)27-23)19-10-14-21(30-2)15-11-19/h3-15H,16H2,1-2H3,(H2,26,27,28)
InChIKeyBNCMHEVQFHCXGN-UHFFFAOYSA-N
XLogP5.00
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 139449783
5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine
CID 139449779
5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine
CID 139449767
5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 6456520
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine
CID 12597618
4-(1-benzothiophen-2-yl)-5-benzyl-6-phenylpyrimidin-2-amine
CID 139449847
3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane
CID 153387650
CID 88687788
CID 88687788
2,3-dibenzyl-7-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,2-c]pyridine
CID 135060859
2-(4-methoxyphenyl)-5-methyl-4-[4-[[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methyl]phenyl]-1H-imidazole
CID 142406883
1-benzyl-4-methoxybenzene;1,1'-biphenyl;ethane;propane;toluene
CID 153349998

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine (CID 139449734) is 5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2nc(N)nc(-c3ccc(OC)cc3)c2Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is BNCMHEVQFHCXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-29-20-12-8-18(9-13-20)23-22(16-17-6-4-3-5-7-17)24(28-25(26)27-23)19-10-14-21(30-2)15-11-19/h3-15H,16H2,1-2H3,(H2,26,27,28).
What are the key properties of 5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine?
5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 397.48 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 139449734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).