8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride

C14H16Cl3N5O — CID 24946753

IUPAC8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride
SMILESCl.Cl.Nc1nc(N2CCNCC2)c2oc3ccc(Cl)cc3c2n1
InChIInChI=1S/C14H14ClN5O.2ClH/c15-8-1-2-10-9(7-8)11-12(21-10)13(19-14(16)18-11)20-5-3-17-4-6-20;;/h1-2,7,17H,3-6H2,(H2,16,18,19);2*1H
InChIKeySUUVSGCJMAMDQF-UHFFFAOYSA-N
MW376.68 g/mol
LogP2.86
Rot. Bonds1

About 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride

8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride (PubChem CID 24946753) has the molecular formula C14H16Cl3N5O and a molecular weight of 376.68 g/mol. Its IUPAC name is 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound Name8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride
PubChem CID24946753
Molecular FormulaC14H16Cl3N5O
Molecular Weight376.68 g/mol
Exact Mass375.04
IUPAC Name8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride
SMILESCl.Cl.Nc1nc(N2CCNCC2)c2oc3ccc(Cl)cc3c2n1
InChIInChI=1S/C14H14ClN5O.2ClH/c15-8-1-2-10-9(7-8)11-12(21-10)13(19-14(16)18-11)20-5-3-17-4-6-20;;/h1-2,7,17H,3-6H2,(H2,16,18,19);2*1H
InChIKeySUUVSGCJMAMDQF-UHFFFAOYSA-N
XLogP2.86
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.68
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride?
The IUPAC name of 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride (CID 24946753) is 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride?
The canonical SMILES for 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride is Cl.Cl.Nc1nc(N2CCNCC2)c2oc3ccc(Cl)cc3c2n1.
What is the InChIKey of 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride?
The InChIKey is SUUVSGCJMAMDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O.2ClH/c15-8-1-2-10-9(7-8)11-12(21-10)13(19-14(16)18-11)20-5-3-17-4-6-20;;/h1-2,7,17H,3-6H2,(H2,16,18,19);2*1H.
What are the key properties of 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride?
8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride has a molecular weight of 376.68 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 24946753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).