2,4-diamino-3-methyl-4H-imidazol-5-one

C4H8N4O — CID 55284079

IUPAC2,4-diamino-3-methyl-4H-imidazol-5-one
SMILESCN1C(N)=NC(=O)C1N
InChIInChI=1S/C4H8N4O/c1-8-2(5)3(9)7-4(8)6/h2H,5H2,1H3,(H2,6,7,9)
InChIKeyLSBFQZGHHKMAFX-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.94
Rot. Bonds

About 2,4-diamino-3-methyl-4H-imidazol-5-one

2,4-diamino-3-methyl-4H-imidazol-5-one (PubChem CID 55284079) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 2,4-diamino-3-methyl-4H-imidazol-5-one.

Molecular Properties

Compound Name2,4-diamino-3-methyl-4H-imidazol-5-one
PubChem CID55284079
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name2,4-diamino-3-methyl-4H-imidazol-5-one
SMILESCN1C(N)=NC(=O)C1N
InChIInChI=1S/C4H8N4O/c1-8-2(5)3(9)7-4(8)6/h2H,5H2,1H3,(H2,6,7,9)
InChIKeyLSBFQZGHHKMAFX-UHFFFAOYSA-N
XLogP-1.94
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-3-methyl-4H-imidazol-5-one?
The IUPAC name of 2,4-diamino-3-methyl-4H-imidazol-5-one (CID 55284079) is 2,4-diamino-3-methyl-4H-imidazol-5-one.
What is the SMILES notation for 2,4-diamino-3-methyl-4H-imidazol-5-one?
The canonical SMILES for 2,4-diamino-3-methyl-4H-imidazol-5-one is CN1C(N)=NC(=O)C1N.
What is the InChIKey of 2,4-diamino-3-methyl-4H-imidazol-5-one?
The InChIKey is LSBFQZGHHKMAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-8-2(5)3(9)7-4(8)6/h2H,5H2,1H3,(H2,6,7,9).
What are the key properties of 2,4-diamino-3-methyl-4H-imidazol-5-one?
2,4-diamino-3-methyl-4H-imidazol-5-one has a molecular weight of 128.13 g/mol, XLogP of -1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-3-methyl-4H-imidazol-5-one is sourced from PubChem (CID 55284079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).