(5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione

C12H17N5O2 — CID 53242400

IUPAC(5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione
SMILES[H]/N=c1/c(N)cccn1CCCC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C12H17N5O2/c13-8-4-3-7-17(10(8)14)6-2-1-5-9-11(18)16-12(19)15-9/h3-4,7,9,14H,1-2,5-6,13H2,(H2,15,16,18,19)/b14-10-/t9-/m0/s1
InChIKeyZBZBQKIKTDOKIH-DCMHDJSWSA-N
MW263.30 g/mol
LogP-0.07
Rot. Bonds5

About (5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione

(5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione (PubChem CID 53242400) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione
PubChem CID53242400
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione
SMILES[H]/N=c1/c(N)cccn1CCCC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C12H17N5O2/c13-8-4-3-7-17(10(8)14)6-2-1-5-9-11(18)16-12(19)15-9/h3-4,7,9,14H,1-2,5-6,13H2,(H2,15,16,18,19)/b14-10-/t9-/m0/s1
InChIKeyZBZBQKIKTDOKIH-DCMHDJSWSA-N
XLogP-0.07
TPSA113.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione (CID 53242400) is (5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione is [H]/N=c1/c(N)cccn1CCCC[C@@H]1NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione?
The InChIKey is ZBZBQKIKTDOKIH-DCMHDJSWSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-8-4-3-7-17(10(8)14)6-2-1-5-9-11(18)16-12(19)15-9/h3-4,7,9,14H,1-2,5-6,13H2,(H2,15,16,18,19)/b14-10-/t9-/m0/s1.
What are the key properties of (5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione?
(5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of -0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(3-amino-2-imino-1-pyridinyl)butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 53242400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).