5-imino-6-methylpyrimidine-2,4-dione

C5H5N3O2 — CID 137448396

IUPAC5-imino-6-methylpyrimidine-2,4-dione
SMILES[H]/N=C1/C(=O)NC(=O)N=C1C
InChIInChI=1S/C5H5N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H,1H3,(H,8,9,10)/b6-3+
InChIKeyJCMXWAHBVZXFFK-ZZXKWVIFSA-N
MW139.11 g/mol
LogP-0.28
Rot. Bonds

About 5-imino-6-methylpyrimidine-2,4-dione

5-imino-6-methylpyrimidine-2,4-dione (PubChem CID 137448396) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 5-imino-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-imino-6-methylpyrimidine-2,4-dione
PubChem CID137448396
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name5-imino-6-methylpyrimidine-2,4-dione
SMILES[H]/N=C1/C(=O)NC(=O)N=C1C
InChIInChI=1S/C5H5N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H,1H3,(H,8,9,10)/b6-3+
InChIKeyJCMXWAHBVZXFFK-ZZXKWVIFSA-N
XLogP-0.28
TPSA82.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-imino-6-methylpyrimidine-2,4-dione?
The IUPAC name of 5-imino-6-methylpyrimidine-2,4-dione (CID 137448396) is 5-imino-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-imino-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-imino-6-methylpyrimidine-2,4-dione is [H]/N=C1/C(=O)NC(=O)N=C1C.
What is the InChIKey of 5-imino-6-methylpyrimidine-2,4-dione?
The InChIKey is JCMXWAHBVZXFFK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H5N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H,1H3,(H,8,9,10)/b6-3+.
What are the key properties of 5-imino-6-methylpyrimidine-2,4-dione?
5-imino-6-methylpyrimidine-2,4-dione has a molecular weight of 139.11 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 137448396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).