4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine

C17H18N4OS — CID 10449071

IUPAC4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
SMILESCN1CCN(c2nc(-c3ccco3)cc(-c3cccs3)n2)CC1
InChIInChI=1S/C17H18N4OS/c1-20-6-8-21(9-7-20)17-18-13(15-4-2-10-22-15)12-14(19-17)16-5-3-11-23-16/h2-5,10-12H,6-9H2,1H3
InChIKeyMQRSAZAKLDEKCG-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.22
Rot. Bonds3

About 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine

4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine (PubChem CID 10449071) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
PubChem CID10449071
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
SMILESCN1CCN(c2nc(-c3ccco3)cc(-c3cccs3)n2)CC1
InChIInChI=1S/C17H18N4OS/c1-20-6-8-21(9-7-20)17-18-13(15-4-2-10-22-15)12-14(19-17)16-5-3-11-23-16/h2-5,10-12H,6-9H2,1H3
InChIKeyMQRSAZAKLDEKCG-UHFFFAOYSA-N
XLogP3.22
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine?
The IUPAC name of 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine (CID 10449071) is 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine is CN1CCN(c2nc(-c3ccco3)cc(-c3cccs3)n2)CC1.
What is the InChIKey of 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine?
The InChIKey is MQRSAZAKLDEKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-20-6-8-21(9-7-20)17-18-13(15-4-2-10-22-15)12-14(19-17)16-5-3-11-23-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine?
4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine has a molecular weight of 326.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine is sourced from PubChem (CID 10449071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).