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

C20H17ClN4O — CID 663887

IUPAC4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1
InChIInChI=1S/C20H17ClN4O/c21-14-5-7-15(8-6-14)24-9-11-25(12-10-24)20-19-18(22-13-23-20)16-3-1-2-4-17(16)26-19/h1-8,13H,9-12H2
InChIKeySSMXMNCWMHISHX-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.36
Rot. Bonds2

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

4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 663887) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID663887
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1
InChIInChI=1S/C20H17ClN4O/c21-14-5-7-15(8-6-14)24-9-11-25(12-10-24)20-19-18(22-13-23-20)16-3-1-2-4-17(16)26-19/h1-8,13H,9-12H2
InChIKeySSMXMNCWMHISHX-UHFFFAOYSA-N
XLogP4.36
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 609295
Benzofurano[3,2-d]pyrimidine deriv. 77
CID 5328425
N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-{[6-(methylamino)pyrimidin-4-yl]oxy}-1,3-benzoxazol-2-amine
CID 17755400
(R)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)benzofuro[3,2-d]pyrimidin-2-amine
CID 16718567
8-Chloro-4-(4-methyl-piperazin-1-yl)-benzo[4,5]furo[3,2-d]pyrimidin-2-ylamine
CID 23653543
8-Chloro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24826766
4-(4-Methylpiperazin-1-yl)-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57399746
N-(sec-butyl)-2-methylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 16682334
4-Chloro-2-methylbenzofuro[3,2-d]pyrimidine
CID 603361
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 663887) is 4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is Clc1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is SSMXMNCWMHISHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-14-5-7-15(8-6-14)24-9-11-25(12-10-24)20-19-18(22-13-23-20)16-3-1-2-4-17(16)26-19/h1-8,13H,9-12H2.
What are the key properties of 4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 364.84 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 663887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).