8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine

C16H17ClN4O2 — CID 46885298

IUPAC8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCOc1nc(N2CCN(C)CC2)c2oc3ccc(Cl)cc3c2n1
InChIInChI=1S/C16H17ClN4O2/c1-20-5-7-21(8-6-20)15-14-13(18-16(19-15)22-2)11-9-10(17)3-4-12(11)23-14/h3-4,9H,5-8H2,1-2H3
InChIKeyPIEUDAPMXBVJDT-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.79
Rot. Bonds2

About 8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine

8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 46885298) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID46885298
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCOc1nc(N2CCN(C)CC2)c2oc3ccc(Cl)cc3c2n1
InChIInChI=1S/C16H17ClN4O2/c1-20-5-7-21(8-6-20)15-14-13(18-16(19-15)22-2)11-9-10(17)3-4-12(11)23-14/h3-4,9H,5-8H2,1-2H3
InChIKeyPIEUDAPMXBVJDT-UHFFFAOYSA-N
XLogP2.79
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 46885298) is 8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine is COc1nc(N2CCN(C)CC2)c2oc3ccc(Cl)cc3c2n1.
What is the InChIKey of 8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is PIEUDAPMXBVJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-20-5-7-21(8-6-20)15-14-13(18-16(19-15)22-2)11-9-10(17)3-4-12(11)23-14/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 332.79 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 46885298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).