3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione

C16H24N6O3 — CID 53368481

IUPAC3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)CN2CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C16H24N6O3/c1-16(2)13(24)22(15(25)19-16)11-12(23)10-20-6-8-21(9-7-20)14-17-4-3-5-18-14/h3-5,12,23H,6-11H2,1-2H3,(H,19,25)
InChIKeyCHVZRNBQHKTYRU-UHFFFAOYSA-N
MW348.41 g/mol
LogP-0.71
Rot. Bonds5

About 3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53368481) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID53368481
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)CN2CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C16H24N6O3/c1-16(2)13(24)22(15(25)19-16)11-12(23)10-20-6-8-21(9-7-20)14-17-4-3-5-18-14/h3-5,12,23H,6-11H2,1-2H3,(H,19,25)
InChIKeyCHVZRNBQHKTYRU-UHFFFAOYSA-N
XLogP-0.71
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 53368481) is 3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(O)CN2CCN(c3ncccn3)CC2)C1=O.
What is the InChIKey of 3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is CHVZRNBQHKTYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-16(2)13(24)22(15(25)19-16)11-12(23)10-20-6-8-21(9-7-20)14-17-4-3-5-18-14/h3-5,12,23H,6-11H2,1-2H3,(H,19,25).
What are the key properties of 3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 348.41 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53368481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).