ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione

C21H37N5O2 — CID 166116797

IUPACethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione
SMILESCC.CC.CC(C)N1CCC(c2cnc(NC3CCC(=O)NC3=O)nc2)CC1
InChIInChI=1S/C17H25N5O2.2C2H6/c1-11(2)22-7-5-12(6-8-22)13-9-18-17(19-10-13)20-14-3-4-15(23)21-16(14)24;2*1-2/h9-12,14H,3-8H2,1-2H3,(H,18,19,20)(H,21,23,24);2*1-2H3
InChIKeyODKPDPWBGQIPMQ-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.33
Rot. Bonds4

About ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione

ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione (PubChem CID 166116797) has the molecular formula C21H37N5O2 and a molecular weight of 391.56 g/mol. Its IUPAC name is ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione
PubChem CID166116797
Molecular FormulaC21H37N5O2
Molecular Weight391.56 g/mol
Exact Mass391.29
IUPAC Nameethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione
SMILESCC.CC.CC(C)N1CCC(c2cnc(NC3CCC(=O)NC3=O)nc2)CC1
InChIInChI=1S/C17H25N5O2.2C2H6/c1-11(2)22-7-5-12(6-8-22)13-9-18-17(19-10-13)20-14-3-4-15(23)21-16(14)24;2*1-2/h9-12,14H,3-8H2,1-2H3,(H,18,19,20)(H,21,23,24);2*1-2H3
InChIKeyODKPDPWBGQIPMQ-UHFFFAOYSA-N
XLogP3.33
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione?
The IUPAC name of ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione (CID 166116797) is ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione is CC.CC.CC(C)N1CCC(c2cnc(NC3CCC(=O)NC3=O)nc2)CC1.
What is the InChIKey of ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione?
The InChIKey is ODKPDPWBGQIPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2.2C2H6/c1-11(2)22-7-5-12(6-8-22)13-9-18-17(19-10-13)20-14-3-4-15(23)21-16(14)24;2*1-2/h9-12,14H,3-8H2,1-2H3,(H,18,19,20)(H,21,23,24);2*1-2H3.
What are the key properties of ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione?
ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione has a molecular weight of 391.56 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 166116797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).