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

C13H13N3O — CID 4671621

IUPAC2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCc1nc(NC)c2oc3ccccc3c2n1
InChIInChI=1S/C13H13N3O/c1-3-10-15-11-8-6-4-5-7-9(8)17-12(11)13(14-2)16-10/h4-7H,3H2,1-2H3,(H,14,15,16)
InChIKeyBARKODVGGORCBR-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.98
Rot. Bonds2

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

2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 4671621) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID4671621
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCc1nc(NC)c2oc3ccccc3c2n1
InChIInChI=1S/C13H13N3O/c1-3-10-15-11-8-6-4-5-7-9(8)17-12(11)13(14-2)16-10/h4-7H,3H2,1-2H3,(H,14,15,16)
InChIKeyBARKODVGGORCBR-UHFFFAOYSA-N
XLogP2.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 4671621) is 2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CCc1nc(NC)c2oc3ccccc3c2n1.
What is the InChIKey of 2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is BARKODVGGORCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-3-10-15-11-8-6-4-5-7-9(8)17-12(11)13(14-2)16-10/h4-7H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 4671621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).