N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

C16H19N3O — CID 55346583

IUPACN-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCCCN(CC)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C16H19N3O/c1-3-5-10-19(4-2)16-15-14(17-11-18-16)12-8-6-7-9-13(12)20-15/h6-9,11H,3-5,10H2,1-2H3
InChIKeyVFOADFZRKAUFEL-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.00
Rot. Bonds5

About N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 55346583) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID55346583
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCCCN(CC)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C16H19N3O/c1-3-5-10-19(4-2)16-15-14(17-11-18-16)12-8-6-7-9-13(12)20-15/h6-9,11H,3-5,10H2,1-2H3
InChIKeyVFOADFZRKAUFEL-UHFFFAOYSA-N
XLogP4.00
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 55346583) is N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CCCCN(CC)c1ncnc2c1oc1ccccc12.
What is the InChIKey of N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is VFOADFZRKAUFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-5-10-19(4-2)16-15-14(17-11-18-16)12-8-6-7-9-13(12)20-15/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 55346583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).