1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone

C19H23N5O2 — CID 46960984

IUPAC1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)CC1
InChIInChI=1S/C19H23N5O2/c1-14(25)23-8-10-24(11-9-23)19-21-13-16(15-4-6-20-7-5-15)18(22-19)17-3-2-12-26-17/h4-7,13,17H,2-3,8-12H2,1H3/t17-/m0/s1
InChIKeyDANRRRWBSQZUSS-KRWDZBQOSA-N
MW353.43 g/mol
LogP2.06
Rot. Bonds3

About 1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 46960984) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID46960984
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)CC1
InChIInChI=1S/C19H23N5O2/c1-14(25)23-8-10-24(11-9-23)19-21-13-16(15-4-6-20-7-5-15)18(22-19)17-3-2-12-26-17/h4-7,13,17H,2-3,8-12H2,1H3/t17-/m0/s1
InChIKeyDANRRRWBSQZUSS-KRWDZBQOSA-N
XLogP2.06
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone (CID 46960984) is 1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)CC1.
What is the InChIKey of 1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is DANRRRWBSQZUSS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14(25)23-8-10-24(11-9-23)19-21-13-16(15-4-6-20-7-5-15)18(22-19)17-3-2-12-26-17/h4-7,13,17H,2-3,8-12H2,1H3/t17-/m0/s1.
What are the key properties of 1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 353.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 46960984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).