5-amino-2-methyl-1H-pyrimidine-4,6-dione

C5H7N3O2 — CID 73182808

IUPAC5-amino-2-methyl-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)C(N)C(=O)N1
InChIInChI=1S/C5H7N3O2/c1-2-7-4(9)3(6)5(10)8-2/h3H,6H2,1H3,(H,7,8,9,10)
InChIKeyPAAFZEFOAPIUBY-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.61
Rot. Bonds

About 5-amino-2-methyl-1H-pyrimidine-4,6-dione

5-amino-2-methyl-1H-pyrimidine-4,6-dione (PubChem CID 73182808) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-amino-2-methyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-amino-2-methyl-1H-pyrimidine-4,6-dione
PubChem CID73182808
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name5-amino-2-methyl-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)C(N)C(=O)N1
InChIInChI=1S/C5H7N3O2/c1-2-7-4(9)3(6)5(10)8-2/h3H,6H2,1H3,(H,7,8,9,10)
InChIKeyPAAFZEFOAPIUBY-UHFFFAOYSA-N
XLogP-1.61
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-amino-2-methyl-1H-pyrimidine-4,6-dione (CID 73182808) is 5-amino-2-methyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-amino-2-methyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-amino-2-methyl-1H-pyrimidine-4,6-dione is CC1=NC(=O)C(N)C(=O)N1.
What is the InChIKey of 5-amino-2-methyl-1H-pyrimidine-4,6-dione?
The InChIKey is PAAFZEFOAPIUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-2-7-4(9)3(6)5(10)8-2/h3H,6H2,1H3,(H,7,8,9,10).
What are the key properties of 5-amino-2-methyl-1H-pyrimidine-4,6-dione?
5-amino-2-methyl-1H-pyrimidine-4,6-dione has a molecular weight of 141.13 g/mol, XLogP of -1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 73182808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).