N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

C21H17N5O — CID 133327160

IUPACN-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2c1oc1ccccc12)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H17N5O/c1-14(15-7-9-16(10-8-15)26-12-4-11-24-26)25-21-20-19(22-13-23-21)17-5-2-3-6-18(17)27-20/h2-14H,1H3,(H,22,23,25)
InChIKeyZGTBIOLTZPUTCI-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.73
Rot. Bonds4

About N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 133327160) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID133327160
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2c1oc1ccccc12)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H17N5O/c1-14(15-7-9-16(10-8-15)26-12-4-11-24-26)25-21-20-19(22-13-23-21)17-5-2-3-6-18(17)27-20/h2-14H,1H3,(H,22,23,25)
InChIKeyZGTBIOLTZPUTCI-UHFFFAOYSA-N
XLogP4.73
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 133327160) is N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is CC(Nc1ncnc2c1oc1ccccc12)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is ZGTBIOLTZPUTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-14(15-7-9-16(10-8-15)26-12-4-11-24-26)25-21-20-19(22-13-23-21)17-5-2-3-6-18(17)27-20/h2-14H,1H3,(H,22,23,25).
What are the key properties of N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 355.40 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 133327160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).