4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C20H19N5O — CID 126800261

IUPAC4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nccc(C2CCCN(c3ncnc4c3oc3ccccc34)C2)n1
InChIInChI=1S/C20H19N5O/c1-13-21-9-8-16(24-13)14-5-4-10-25(11-14)20-19-18(22-12-23-20)15-6-2-3-7-17(15)26-19/h2-3,6-9,12,14H,4-5,10-11H2,1H3
InChIKeyWDIAGALDVGVMCN-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.86
Rot. Bonds2

About 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 126800261) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID126800261
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nccc(C2CCCN(c3ncnc4c3oc3ccccc34)C2)n1
InChIInChI=1S/C20H19N5O/c1-13-21-9-8-16(24-13)14-5-4-10-25(11-14)20-19-18(22-12-23-20)15-6-2-3-7-17(15)26-19/h2-3,6-9,12,14H,4-5,10-11H2,1H3
InChIKeyWDIAGALDVGVMCN-UHFFFAOYSA-N
XLogP3.86
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 126800261) is 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is Cc1nccc(C2CCCN(c3ncnc4c3oc3ccccc34)C2)n1.
What is the InChIKey of 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is WDIAGALDVGVMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-21-9-8-16(24-13)14-5-4-10-25(11-14)20-19-18(22-12-23-20)15-6-2-3-7-17(15)26-19/h2-3,6-9,12,14H,4-5,10-11H2,1H3.
What are the key properties of 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 345.41 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 126800261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).