furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

C20H20N4O2 — CID 653840

IUPACfuran-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c1-15-14-18(22-19(21-15)16-6-3-2-4-7-16)23-9-11-24(12-10-23)20(25)17-8-5-13-26-17/h2-8,13-14H,9-12H2,1H3
InChIKeyOMMHATGUSWIGGO-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.01
Rot. Bonds3

About furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 653840) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID653840
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Namefuran-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c1-15-14-18(22-19(21-15)16-6-3-2-4-7-16)23-9-11-24(12-10-23)20(25)17-8-5-13-26-17/h2-8,13-14H,9-12H2,1H3
InChIKeyOMMHATGUSWIGGO-UHFFFAOYSA-N
XLogP3.01
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 653840) is furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is OMMHATGUSWIGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-14-18(22-19(21-15)16-6-3-2-4-7-16)23-9-11-24(12-10-23)20(25)17-8-5-13-26-17/h2-8,13-14H,9-12H2,1H3.
What are the key properties of furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 653840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).