oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C17H25N5O2 — CID 70703053

IUPACoxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C17H25N5O2/c23-16(14-4-3-13-24-14)21-11-9-20(10-12-21)15-5-6-18-17(19-15)22-7-1-2-8-22/h5-6,14H,1-4,7-13H2
InChIKeyMDRHYGJKJNKWMR-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.90
Rot. Bonds3

About oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 70703053) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID70703053
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Nameoxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C17H25N5O2/c23-16(14-4-3-13-24-14)21-11-9-20(10-12-21)15-5-6-18-17(19-15)22-7-1-2-8-22/h5-6,14H,1-4,7-13H2
InChIKeyMDRHYGJKJNKWMR-UHFFFAOYSA-N
XLogP0.90
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 70703053) is oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(C1CCCO1)N1CCN(c2ccnc(N3CCCC3)n2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is MDRHYGJKJNKWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-16(14-4-3-13-24-14)21-11-9-20(10-12-21)15-5-6-18-17(19-15)22-7-1-2-8-22/h5-6,14H,1-4,7-13H2.
What are the key properties of oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 70703053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).