N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

C15H11N3O2 — CID 659066

IUPACN-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1coc(CNc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C15H11N3O2/c1-2-6-12-11(5-1)13-14(20-12)15(18-9-17-13)16-8-10-4-3-7-19-10/h1-7,9H,8H2,(H,16,17,18)
InChIKeyWVWBCYNXECAQGJ-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.58
Rot. Bonds3

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

N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 659066) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID659066
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC NameN-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1coc(CNc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C15H11N3O2/c1-2-6-12-11(5-1)13-14(20-12)15(18-9-17-13)16-8-10-4-3-7-19-10/h1-7,9H,8H2,(H,16,17,18)
InChIKeyWVWBCYNXECAQGJ-UHFFFAOYSA-N
XLogP3.58
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 659066) is N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is c1coc(CNc2ncnc3c2oc2ccccc23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is WVWBCYNXECAQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-2-6-12-11(5-1)13-14(20-12)15(18-9-17-13)16-8-10-4-3-7-19-10/h1-7,9H,8H2,(H,16,17,18).
What are the key properties of N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 265.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 659066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).