5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione

C7H10N4O2 — CID 143919644

IUPAC5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione
SMILES[H]/N=C/c1c(N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C7H10N4O2/c1-10-4(3-8)5(9)6(12)11(2)7(10)13/h3,8H,9H2,1-2H3/b8-3+
InChIKeyTUUFFTRNACYNRL-FPYGCLRLSA-N
MW182.18 g/mol
LogP-1.34
Rot. Bonds1

About 5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione

5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 143919644) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID143919644
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione
SMILES[H]/N=C/c1c(N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C7H10N4O2/c1-10-4(3-8)5(9)6(12)11(2)7(10)13/h3,8H,9H2,1-2H3/b8-3+
InChIKeyTUUFFTRNACYNRL-FPYGCLRLSA-N
XLogP-1.34
TPSA93.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione (CID 143919644) is 5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione is [H]/N=C/c1c(N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is TUUFFTRNACYNRL-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-10-4(3-8)5(9)6(12)11(2)7(10)13/h3,8H,9H2,1-2H3/b8-3+.
What are the key properties of 5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione?
5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 143919644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).