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

C16H19N5O2 — CID 24826442

IUPAC8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc2oc3c(N4CCN(C)CC4)nc(N)nc3c2c1
InChIInChI=1S/C16H19N5O2/c1-20-5-7-21(8-6-20)15-14-13(18-16(17)19-15)11-9-10(22-2)3-4-12(11)23-14/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19)
InChIKeyIUFTZALVFABBHY-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.72
Rot. Bonds2

About 8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine

8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24826442) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24826442
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc2oc3c(N4CCN(C)CC4)nc(N)nc3c2c1
InChIInChI=1S/C16H19N5O2/c1-20-5-7-21(8-6-20)15-14-13(18-16(17)19-15)11-9-10(22-2)3-4-12(11)23-14/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19)
InChIKeyIUFTZALVFABBHY-UHFFFAOYSA-N
XLogP1.72
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

Amuvatinib
CID 11282283
8-Chloro-4-(4-methyl-piperazin-1-yl)-benzo[4,5]furo[3,2-d]pyrimidin-2-ylamine
CID 23653543
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57396301
4-(4-Methylpiperazin-1-yl)-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57399746
2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1414940
N-(sec-butyl)-2-methylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 16682334
N-(3-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1399676
N-Phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 621402
2-Methyl-4-morpholino[1]benzofuro[3,2-d]pyrimidine
CID 656347
4-(4-Methyl-1-piperazinyl)benzofuro[3,2-d]pyrimidine
CID 2306318
4-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl][1]benzofuro[3,2-d]pyrimidine
CID 2952584
N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2068417

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24826442) is 8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine is COc1ccc2oc3c(N4CCN(C)CC4)nc(N)nc3c2c1.
What is the InChIKey of 8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is IUFTZALVFABBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20-5-7-21(8-6-20)15-14-13(18-16(17)19-15)11-9-10(22-2)3-4-12(11)23-14/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19).
What are the key properties of 8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 313.36 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24826442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).