N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

C18H23N5O — CID 133293036

IUPACN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCC(CN1CCN(C)CC1)Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C18H23N5O/c1-13(11-23-9-7-22(2)8-10-23)21-18-17-16(19-12-20-18)14-5-3-4-6-15(14)24-17/h3-6,12-13H,7-11H2,1-2H3,(H,19,20,21)
InChIKeyDWHTVRONCWEHLZ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.42
Rot. Bonds4

About N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 133293036) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID133293036
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCC(CN1CCN(C)CC1)Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C18H23N5O/c1-13(11-23-9-7-22(2)8-10-23)21-18-17-16(19-12-20-18)14-5-3-4-6-15(14)24-17/h3-6,12-13H,7-11H2,1-2H3,(H,19,20,21)
InChIKeyDWHTVRONCWEHLZ-UHFFFAOYSA-N
XLogP2.42
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 133293036) is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is CC(CN1CCN(C)CC1)Nc1ncnc2c1oc1ccccc12.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is DWHTVRONCWEHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13(11-23-9-7-22(2)8-10-23)21-18-17-16(19-12-20-18)14-5-3-4-6-15(14)24-17/h3-6,12-13H,7-11H2,1-2H3,(H,19,20,21).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 133293036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).