4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine

C29H21N3O — CID 139449762

IUPAC4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine
SMILESNc1nc(-c2cc3ccccc3o2)c(Cc2ccccc2)c(-c2cccc3ccccc23)n1
InChIInChI=1S/C29H21N3O/c30-29-31-27(23-15-8-13-20-11-4-6-14-22(20)23)24(17-19-9-2-1-3-10-19)28(32-29)26-18-21-12-5-7-16-25(21)33-26/h1-16,18H,17H2,(H2,30,31,32)
InChIKeyPSVQJNFVRAGVKV-UHFFFAOYSA-N
MW427.51 g/mol
LogP6.88
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine

4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine (PubChem CID 139449762) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine
PubChem CID139449762
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine
SMILESNc1nc(-c2cc3ccccc3o2)c(Cc2ccccc2)c(-c2cccc3ccccc23)n1
InChIInChI=1S/C29H21N3O/c30-29-31-27(23-15-8-13-20-11-4-6-14-22(20)23)24(17-19-9-2-1-3-10-19)28(32-29)26-18-21-12-5-7-16-25(21)33-26/h1-16,18H,17H2,(H2,30,31,32)
InChIKeyPSVQJNFVRAGVKV-UHFFFAOYSA-N
XLogP6.88
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine
CID 139449796
6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
CID 132967651
2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran
CID 143851022
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 170402225
4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine
CID 146183135
3-(1-benzofuran-2-yl)pyrazin-2-amine
CID 114734408
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398836
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170398919
4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine
CID 149203141
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399873
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
4-(1-benzothiophen-2-yl)-5-benzyl-6-phenylpyrimidin-2-amine
CID 139449847

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine (CID 139449762) is 4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine is Nc1nc(-c2cc3ccccc3o2)c(Cc2ccccc2)c(-c2cccc3ccccc23)n1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine?
The InChIKey is PSVQJNFVRAGVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c30-29-31-27(23-15-8-13-20-11-4-6-14-22(20)23)24(17-19-9-2-1-3-10-19)28(32-29)26-18-21-12-5-7-16-25(21)33-26/h1-16,18H,17H2,(H2,30,31,32).
What are the key properties of 4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine?
4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine has a molecular weight of 427.51 g/mol, XLogP of 6.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine is sourced from PubChem (CID 139449762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).