oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C13H18N4O2 — CID 2932528

IUPACoxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H18N4O2/c18-12(11-3-1-10-19-11)16-6-8-17(9-7-16)13-14-4-2-5-15-13/h2,4-5,11H,1,3,6-10H2
InChIKeyYDVNPRYCQGGRRX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.30
Rot. Bonds2

About oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2932528) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2932528
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nameoxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H18N4O2/c18-12(11-3-1-10-19-11)16-6-8-17(9-7-16)13-14-4-2-5-15-13/h2,4-5,11H,1,3,6-10H2
InChIKeyYDVNPRYCQGGRRX-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2932528) is oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(C1CCCO1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is YDVNPRYCQGGRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-12(11-3-1-10-19-11)16-6-8-17(9-7-16)13-14-4-2-5-15-13/h2,4-5,11H,1,3,6-10H2.
What are the key properties of oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2932528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).