(2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H26N4O2 — CID 26953584

IUPAC(2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3cc(C)oc3C)CC2)nc(C(C)C)n1
InChIInChI=1S/C19H26N4O2/c1-12(2)18-20-13(3)10-17(21-18)22-6-8-23(9-7-22)19(24)16-11-14(4)25-15(16)5/h10-12H,6-9H2,1-5H3
InChIKeyPVIQBFVAVPVLOH-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.08
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 26953584) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID26953584
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3cc(C)oc3C)CC2)nc(C(C)C)n1
InChIInChI=1S/C19H26N4O2/c1-12(2)18-20-13(3)10-17(21-18)22-6-8-23(9-7-22)19(24)16-11-14(4)25-15(16)5/h10-12H,6-9H2,1-5H3
InChIKeyPVIQBFVAVPVLOH-UHFFFAOYSA-N
XLogP3.08
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 26953584) is (2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3cc(C)oc3C)CC2)nc(C(C)C)n1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is PVIQBFVAVPVLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)18-20-13(3)10-17(21-18)22-6-8-23(9-7-22)19(24)16-11-14(4)25-15(16)5/h10-12H,6-9H2,1-5H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 26953584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).