N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

C17H20N4O — CID 3599381

IUPACN-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)oc1c(NCCN3CCCCC3)ncnc12
InChIInChI=1S/C17H20N4O/c1-4-9-21(10-5-1)11-8-18-17-16-15(19-12-20-17)13-6-2-3-7-14(13)22-16/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,19,20)
InChIKeyCXCNZWPCPRAXFI-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.27
Rot. Bonds4

About N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 3599381) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID3599381
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)oc1c(NCCN3CCCCC3)ncnc12
InChIInChI=1S/C17H20N4O/c1-4-9-21(10-5-1)11-8-18-17-16-15(19-12-20-17)13-6-2-3-7-14(13)22-16/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,19,20)
InChIKeyCXCNZWPCPRAXFI-UHFFFAOYSA-N
XLogP3.27
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 3599381) is N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is c1ccc2c(c1)oc1c(NCCN3CCCCC3)ncnc12.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is CXCNZWPCPRAXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-9-21(10-5-1)11-8-18-17-16-15(19-12-20-17)13-6-2-3-7-14(13)22-16/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,19,20).
What are the key properties of N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 296.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 3599381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).