4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine

C18H16N6O — CID 660262

IUPAC4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1cnc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)nc1
InChIInChI=1S/C18H16N6O/c1-2-5-14-13(4-1)15-16(25-14)17(22-12-21-15)23-8-10-24(11-9-23)18-19-6-3-7-20-18/h1-7,12H,8-11H2
InChIKeyQIZBPKZQRGXDOX-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.49
Rot. Bonds2

About 4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine

4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 660262) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID660262
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1cnc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)nc1
InChIInChI=1S/C18H16N6O/c1-2-5-14-13(4-1)15-16(25-14)17(22-12-21-15)23-8-10-24(11-9-23)18-19-6-3-7-20-18/h1-7,12H,8-11H2
InChIKeyQIZBPKZQRGXDOX-UHFFFAOYSA-N
XLogP2.49
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4291606
4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 35784873
1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 133285409
4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4979349
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 46797847
4-[4-(2,3-dimethylphenyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4918092
2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042276
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 133475215
[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 31662089
1,3-benzodioxol-5-yl-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 24679751
2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide
CID 126826467
(2S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 6546523

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 660262) is 4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine is c1cnc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)nc1.
What is the InChIKey of 4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is QIZBPKZQRGXDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-2-5-14-13(4-1)15-16(25-14)17(22-12-21-15)23-8-10-24(11-9-23)18-19-6-3-7-20-18/h1-7,12H,8-11H2.
What are the key properties of 4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 332.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 660262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).