N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

C19H28N6O3 — CID 72931478

IUPACN-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCc1nc(N2CCCCCCC2)ncc1C(C)NC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C19H28N6O3/c1-13(22-16(26)12-25-17(27)11-21-19(25)28)15-10-20-18(23-14(15)2)24-8-6-4-3-5-7-9-24/h10,13H,3-9,11-12H2,1-2H3,(H,21,28)(H,22,26)
InChIKeyGWUSSUYGQRTUDH-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.28
Rot. Bonds5

About N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 72931478) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID72931478
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC NameN-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCc1nc(N2CCCCCCC2)ncc1C(C)NC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C19H28N6O3/c1-13(22-16(26)12-25-17(27)11-21-19(25)28)15-10-20-18(23-14(15)2)24-8-6-4-3-5-7-9-24/h10,13H,3-9,11-12H2,1-2H3,(H,21,28)(H,22,26)
InChIKeyGWUSSUYGQRTUDH-UHFFFAOYSA-N
XLogP1.28
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (CID 72931478) is N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is Cc1nc(N2CCCCCCC2)ncc1C(C)NC(=O)CN1C(=O)CNC1=O.
What is the InChIKey of N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is GWUSSUYGQRTUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-13(22-16(26)12-25-17(27)11-21-19(25)28)15-10-20-18(23-14(15)2)24-8-6-4-3-5-7-9-24/h10,13H,3-9,11-12H2,1-2H3,(H,21,28)(H,22,26).
What are the key properties of N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 72931478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).