6-amino-3-methyl-5H-pyrimidine-2,4-dione

C5H7N3O2 — CID 23033733

IUPAC6-amino-3-methyl-5H-pyrimidine-2,4-dione
SMILESCN1C(=O)CC(N)=NC1=O
InChIInChI=1S/C5H7N3O2/c1-8-4(9)2-3(6)7-5(8)10/h2H2,1H3,(H2,6,7,10)
InChIKeyXUWBWEWEAGATJA-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.67
Rot. Bonds

About 6-amino-3-methyl-5H-pyrimidine-2,4-dione

6-amino-3-methyl-5H-pyrimidine-2,4-dione (PubChem CID 23033733) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 6-amino-3-methyl-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5H-pyrimidine-2,4-dione
PubChem CID23033733
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name6-amino-3-methyl-5H-pyrimidine-2,4-dione
SMILESCN1C(=O)CC(N)=NC1=O
InChIInChI=1S/C5H7N3O2/c1-8-4(9)2-3(6)7-5(8)10/h2H2,1H3,(H2,6,7,10)
InChIKeyXUWBWEWEAGATJA-UHFFFAOYSA-N
XLogP-0.67
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5H-pyrimidine-2,4-dione (CID 23033733) is 6-amino-3-methyl-5H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5H-pyrimidine-2,4-dione is CN1C(=O)CC(N)=NC1=O.
What is the InChIKey of 6-amino-3-methyl-5H-pyrimidine-2,4-dione?
The InChIKey is XUWBWEWEAGATJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-8-4(9)2-3(6)7-5(8)10/h2H2,1H3,(H2,6,7,10).
What are the key properties of 6-amino-3-methyl-5H-pyrimidine-2,4-dione?
6-amino-3-methyl-5H-pyrimidine-2,4-dione has a molecular weight of 141.13 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 23033733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).