3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione

C6H12N4O2 — CID 130908924

IUPAC3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione
SMILESNCC(CN)N1C(=O)CNC1=O
InChIInChI=1S/C6H12N4O2/c7-1-4(2-8)10-5(11)3-9-6(10)12/h4H,1-3,7-8H2,(H,9,12)
InChIKeyKNSVTYZQODSYOH-UHFFFAOYSA-N
MW172.19 g/mol
LogP-2.18
Rot. Bonds3

About 3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione

3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione (PubChem CID 130908924) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione
PubChem CID130908924
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione
SMILESNCC(CN)N1C(=O)CNC1=O
InChIInChI=1S/C6H12N4O2/c7-1-4(2-8)10-5(11)3-9-6(10)12/h4H,1-3,7-8H2,(H,9,12)
InChIKeyKNSVTYZQODSYOH-UHFFFAOYSA-N
XLogP-2.18
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione
CID 107861614
3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione
CID 103936477
3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione
CID 43753192
3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione
CID 126986060
3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]imidazolidine-2,4-dione
CID 107861540
3-pent-4-en-2-ylimidazolidine-2,4-dione
CID 103936497
(2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108752
2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 22390018
3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione
CID 130949581
3-hexadecan-2-ylimidazolidine-2,4-dione
CID 70547028
1-(3-ethylpentan-2-yl)piperazine-2,5-dione
CID 64956147
3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione
CID 107841916

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione (CID 130908924) is 3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione is NCC(CN)N1C(=O)CNC1=O.
What is the InChIKey of 3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione?
The InChIKey is KNSVTYZQODSYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c7-1-4(2-8)10-5(11)3-9-6(10)12/h4H,1-3,7-8H2,(H,9,12).
What are the key properties of 3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione?
3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione has a molecular weight of 172.19 g/mol, XLogP of -2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 130908924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).