furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C22H20N4O2S — CID 171355263

IUPACfuran-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3ccco3)CC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C22H20N4O2S/c1-15-23-20(17-14-19(29-21(17)24-15)16-6-3-2-4-7-16)25-9-11-26(12-10-25)22(27)18-8-5-13-28-18/h2-8,13-14H,9-12H2,1H3
InChIKeyXBQZZRZLTNMJRT-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.22
Rot. Bonds3

About furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 171355263) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID171355263
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Namefuran-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3ccco3)CC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C22H20N4O2S/c1-15-23-20(17-14-19(29-21(17)24-15)16-6-3-2-4-7-16)25-9-11-26(12-10-25)22(27)18-8-5-13-28-18/h2-8,13-14H,9-12H2,1H3
InChIKeyXBQZZRZLTNMJRT-UHFFFAOYSA-N
XLogP4.22
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 171355263) is furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is XBQZZRZLTNMJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-15-23-20(17-14-19(29-21(17)24-15)16-6-3-2-4-7-16)25-9-11-26(12-10-25)22(27)18-8-5-13-28-18/h2-8,13-14H,9-12H2,1H3.
What are the key properties of furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 404.50 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 171355263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).