5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine

C20H16N4O — CID 139449759

IUPAC5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccoc2)c(Cc2ccccc2)c(-c2ccccn2)n1
InChIInChI=1S/C20H16N4O/c21-20-23-18(15-9-11-25-13-15)16(12-14-6-2-1-3-7-14)19(24-20)17-8-4-5-10-22-17/h1-11,13H,12H2,(H2,21,23,24)
InChIKeyFQQJBLNGBFELET-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.97
Rot. Bonds4

About 5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine

5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine (PubChem CID 139449759) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
PubChem CID139449759
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccoc2)c(Cc2ccccc2)c(-c2ccccn2)n1
InChIInChI=1S/C20H16N4O/c21-20-23-18(15-9-11-25-13-15)16(12-14-6-2-1-3-7-14)19(24-20)17-8-4-5-10-22-17/h1-11,13H,12H2,(H2,21,23,24)
InChIKeyFQQJBLNGBFELET-UHFFFAOYSA-N
XLogP3.97
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine (CID 139449759) is 5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine is Nc1nc(-c2ccoc2)c(Cc2ccccc2)c(-c2ccccn2)n1.
What is the InChIKey of 5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is FQQJBLNGBFELET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-20-23-18(15-9-11-25-13-15)16(12-14-6-2-1-3-7-14)19(24-20)17-8-4-5-10-22-17/h1-11,13H,12H2,(H2,21,23,24).
What are the key properties of 5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine?
5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 328.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 139449759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).