1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone

C16H25N5O — CID 95825247

IUPAC1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(CC[C@H]3CCCN3)ncn2)CC1
InChIInChI=1S/C16H25N5O/c1-13(22)20-7-9-21(10-8-20)16-11-15(18-12-19-16)5-4-14-3-2-6-17-14/h11-12,14,17H,2-10H2,1H3/t14-/m1/s1
InChIKeyGAEIVWPEJOSGBH-CQSZACIVSA-N
MW303.41 g/mol
LogP0.83
Rot. Bonds4

About 1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 95825247) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID95825247
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(CC[C@H]3CCCN3)ncn2)CC1
InChIInChI=1S/C16H25N5O/c1-13(22)20-7-9-21(10-8-20)16-11-15(18-12-19-16)5-4-14-3-2-6-17-14/h11-12,14,17H,2-10H2,1H3/t14-/m1/s1
InChIKeyGAEIVWPEJOSGBH-CQSZACIVSA-N
XLogP0.83
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-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-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 95825247) is 1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(CC[C@H]3CCCN3)ncn2)CC1.
What is the InChIKey of 1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is GAEIVWPEJOSGBH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13(22)20-7-9-21(10-8-20)16-11-15(18-12-19-16)5-4-14-3-2-6-17-14/h11-12,14,17H,2-10H2,1H3/t14-/m1/s1.
What are the key properties of 1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95825247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).