9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine

C22H19N7O — CID 168994704

IUPAC9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine
SMILESCCn1cnc2c(NCc3ccc(-c4ccoc4)nc3)nc(-c3cccnc3)nc21
InChIInChI=1S/C22H19N7O/c1-2-29-14-26-19-21(27-20(28-22(19)29)16-4-3-8-23-12-16)25-11-15-5-6-18(24-10-15)17-7-9-30-13-17/h3-10,12-14H,2,11H2,1H3,(H,25,27,28)
InChIKeyYAOSCIXJLJNDAH-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.18
Rot. Bonds6

About 9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine

9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine (PubChem CID 168994704) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine.

Molecular Properties

Compound Name9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine
PubChem CID168994704
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine
SMILESCCn1cnc2c(NCc3ccc(-c4ccoc4)nc3)nc(-c3cccnc3)nc21
InChIInChI=1S/C22H19N7O/c1-2-29-14-26-19-21(27-20(28-22(19)29)16-4-3-8-23-12-16)25-11-15-5-6-18(24-10-15)17-7-9-30-13-17/h3-10,12-14H,2,11H2,1H3,(H,25,27,28)
InChIKeyYAOSCIXJLJNDAH-UHFFFAOYSA-N
XLogP4.18
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine?
The IUPAC name of 9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine (CID 168994704) is 9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine.
What is the SMILES notation for 9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine?
The canonical SMILES for 9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine is CCn1cnc2c(NCc3ccc(-c4ccoc4)nc3)nc(-c3cccnc3)nc21.
What is the InChIKey of 9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine?
The InChIKey is YAOSCIXJLJNDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-2-29-14-26-19-21(27-20(28-22(19)29)16-4-3-8-23-12-16)25-11-15-5-6-18(24-10-15)17-7-9-30-13-17/h3-10,12-14H,2,11H2,1H3,(H,25,27,28).
What are the key properties of 9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine?
9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine has a molecular weight of 397.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine is sourced from PubChem (CID 168994704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).