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

C14H14ClN5O — CID 24825727

IUPAC8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCNCC2)c2oc3ccc(Cl)cc3c2n1
InChIInChI=1S/C14H14ClN5O/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)
InChIKeyNDLXJQFLHYWQSI-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.02
Rot. Bonds1

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

8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24825727) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24825727
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCNCC2)c2oc3ccc(Cl)cc3c2n1
InChIInChI=1S/C14H14ClN5O/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)
InChIKeyNDLXJQFLHYWQSI-UHFFFAOYSA-N
XLogP2.02
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.02
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?
The IUPAC name of 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24825727) is 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine is Nc1nc(N2CCNCC2)c2oc3ccc(Cl)cc3c2n1.
What is the InChIKey of 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is NDLXJQFLHYWQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/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).
What are the key properties of 8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 303.75 g/mol, XLogP of 2.02, 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 is sourced from PubChem (CID 24825727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).