N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide

C15H21N7O4 — CID 6722739

IUPACN-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)N[C@@H](CO)C(=O)N2CCN(c3ncccn3)CC2)N1
InChIInChI=1S/C15H21N7O4/c23-9-11(19-12(24)10-8-18-15(26)20-10)13(25)21-4-6-22(7-5-21)14-16-2-1-3-17-14/h1-3,10-11,23H,4-9H2,(H,19,24)(H2,18,20,26)/t10?,11-/m0/s1
InChIKeyWWOQAEAWZKYCLD-DTIOYNMSSA-N
MW363.38 g/mol
LogP-2.72
Rot. Bonds5

About N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide

N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 6722739) has the molecular formula C15H21N7O4 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide
PubChem CID6722739
Molecular FormulaC15H21N7O4
Molecular Weight363.38 g/mol
Exact Mass363.17
IUPAC NameN-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)N[C@@H](CO)C(=O)N2CCN(c3ncccn3)CC2)N1
InChIInChI=1S/C15H21N7O4/c23-9-11(19-12(24)10-8-18-15(26)20-10)13(25)21-4-6-22(7-5-21)14-16-2-1-3-17-14/h1-3,10-11,23H,4-9H2,(H,19,24)(H2,18,20,26)/t10?,11-/m0/s1
InChIKeyWWOQAEAWZKYCLD-DTIOYNMSSA-N
XLogP-2.72
TPSA139.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 5-2.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide (CID 6722739) is N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide is O=C1NCC(C(=O)N[C@@H](CO)C(=O)N2CCN(c3ncccn3)CC2)N1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is WWOQAEAWZKYCLD-DTIOYNMSSA-N. The full InChI is InChI=1S/C15H21N7O4/c23-9-11(19-12(24)10-8-18-15(26)20-10)13(25)21-4-6-22(7-5-21)14-16-2-1-3-17-14/h1-3,10-11,23H,4-9H2,(H,19,24)(H2,18,20,26)/t10?,11-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide?
N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 363.38 g/mol, XLogP of -2.72, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 6722739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).