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

C24H18N4O — CID 139449796

IUPAC4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccccn2)c(Cc2ccccc2)c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C24H18N4O/c25-24-27-22(19-11-6-7-13-26-19)18(14-16-8-2-1-3-9-16)23(28-24)21-15-17-10-4-5-12-20(17)29-21/h1-13,15H,14H2,(H2,25,27,28)
InChIKeyDLQRTAOZNXXLSF-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.12
Rot. Bonds4

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

4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine (PubChem CID 139449796) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine
PubChem CID139449796
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccccn2)c(Cc2ccccc2)c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C24H18N4O/c25-24-27-22(19-11-6-7-13-26-19)18(14-16-8-2-1-3-9-16)23(28-24)21-15-17-10-4-5-12-20(17)29-21/h1-13,15H,14H2,(H2,25,27,28)
InChIKeyDLQRTAOZNXXLSF-UHFFFAOYSA-N
XLogP5.12
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine
CID 139449762
5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
CID 139449759
3-(1-benzofuran-2-yl)pyrazin-2-amine
CID 114734408
6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
CID 132967651
4-benzyl-3,6-dipyridin-2-ylpyridazine
CID 132577194
3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine
CID 83203824
2-benzylfuro[2,3-b]pyridine
CID 10536385
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine
CID 139449767
2-benzyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 156786960
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-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine (CID 139449796) is 4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine is Nc1nc(-c2ccccn2)c(Cc2ccccc2)c(-c2cc3ccccc3o2)n1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is DLQRTAOZNXXLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c25-24-27-22(19-11-6-7-13-26-19)18(14-16-8-2-1-3-9-16)23(28-24)21-15-17-10-4-5-12-20(17)29-21/h1-13,15H,14H2,(H2,25,27,28).
What are the key properties of 4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine?
4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 378.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 139449796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).