4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C20H20N6O — CID 664348

IUPAC4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1cc(C)nc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)n1
InChIInChI=1S/C20H20N6O/c1-13-11-14(2)24-20(23-13)26-9-7-25(8-10-26)19-18-17(21-12-22-19)15-5-3-4-6-16(15)27-18/h3-6,11-12H,7-10H2,1-2H3
InChIKeyQQCDYHQGOXVEOC-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.11
Rot. Bonds2

About 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 664348) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID664348
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1cc(C)nc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)n1
InChIInChI=1S/C20H20N6O/c1-13-11-14(2)24-20(23-13)26-9-7-25(8-10-26)19-18-17(21-12-22-19)15-5-3-4-6-16(15)27-18/h3-6,11-12H,7-10H2,1-2H3
InChIKeyQQCDYHQGOXVEOC-UHFFFAOYSA-N
XLogP3.11
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 664348) is 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is Cc1cc(C)nc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)n1.
What is the InChIKey of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is QQCDYHQGOXVEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-11-14(2)24-20(23-13)26-9-7-25(8-10-26)19-18-17(21-12-22-19)15-5-3-4-6-16(15)27-18/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 360.42 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 664348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).