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

C15H15ClN4O — CID 2063135

IUPAC8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1
InChIInChI=1S/C15H15ClN4O/c1-19-4-6-20(7-5-19)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)21-14/h2-3,8-9H,4-7H2,1H3
InChIKeyVUWKQWOFKSEXGA-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.78
Rot. Bonds1

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

8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 2063135) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is 8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID2063135
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1
InChIInChI=1S/C15H15ClN4O/c1-19-4-6-20(7-5-19)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)21-14/h2-3,8-9H,4-7H2,1H3
InChIKeyVUWKQWOFKSEXGA-UHFFFAOYSA-N
XLogP2.78
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 2063135) is 8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine is CN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1.
What is the InChIKey of 8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is VUWKQWOFKSEXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-19-4-6-20(7-5-19)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)21-14/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 302.76 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 2063135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).