5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione

C7H12N4O2 — CID 20675994

IUPAC5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCN(N)Cc1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C7H12N4O2/c1-10(8)4-5-3-9-7(13)11(2)6(5)12/h3H,4,8H2,1-2H3,(H,9,13)
InChIKeyOGNWAGNYWAHVAT-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.62
Rot. Bonds2

About 5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 20675994) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID20675994
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCN(N)Cc1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C7H12N4O2/c1-10(8)4-5-3-9-7(13)11(2)6(5)12/h3H,4,8H2,1-2H3,(H,9,13)
InChIKeyOGNWAGNYWAHVAT-UHFFFAOYSA-N
XLogP-1.62
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 20675994) is 5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione is CN(N)Cc1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of 5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is OGNWAGNYWAHVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-10(8)4-5-3-9-7(13)11(2)6(5)12/h3H,4,8H2,1-2H3,(H,9,13).
What are the key properties of 5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 184.20 g/mol, XLogP of -1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20675994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).