8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine

C15H21N5O — CID 25225472

IUPAC8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCC1CCc2oc3c(N4CCNCC4)nc(N)nc3c2C1
InChIInChI=1S/C15H21N5O/c1-9-2-3-11-10(8-9)12-13(21-11)14(19-15(16)18-12)20-6-4-17-5-7-20/h9,17H,2-8H2,1H3,(H2,16,18,19)
InChIKeyPUBIMKGESHYTTH-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.34
Rot. Bonds1

About 8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine

8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 25225472) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID25225472
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCC1CCc2oc3c(N4CCNCC4)nc(N)nc3c2C1
InChIInChI=1S/C15H21N5O/c1-9-2-3-11-10(8-9)12-13(21-11)14(19-15(16)18-12)20-6-4-17-5-7-20/h9,17H,2-8H2,1H3,(H2,16,18,19)
InChIKeyPUBIMKGESHYTTH-UHFFFAOYSA-N
XLogP1.34
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 25225472) is 8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine is CC1CCc2oc3c(N4CCNCC4)nc(N)nc3c2C1.
What is the InChIKey of 8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is PUBIMKGESHYTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9-2-3-11-10(8-9)12-13(21-11)14(19-15(16)18-12)20-6-4-17-5-7-20/h9,17H,2-8H2,1H3,(H2,16,18,19).
What are the key properties of 8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 25225472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).