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

C5H7N3O2 — CID 15101967

IUPAC3-amino-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)n(N)c1=O
InChIInChI=1S/C5H7N3O2/c1-3-2-7-5(10)8(6)4(3)9/h2H,6H2,1H3,(H,7,10)
InChIKeyPLDOIBGTHCDZER-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.44
Rot. Bonds

About 3-amino-5-methyl-1H-pyrimidine-2,4-dione

3-amino-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 15101967) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-amino-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-amino-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID15101967
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3-amino-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)n(N)c1=O
InChIInChI=1S/C5H7N3O2/c1-3-2-7-5(10)8(6)4(3)9/h2H,6H2,1H3,(H,7,10)
InChIKeyPLDOIBGTHCDZER-UHFFFAOYSA-N
XLogP-1.44
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-amino-5-methyl-1H-pyrimidine-2,4-dione (CID 15101967) is 3-amino-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-amino-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-amino-5-methyl-1H-pyrimidine-2,4-dione is Cc1c[nH]c(=O)n(N)c1=O.
What is the InChIKey of 3-amino-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is PLDOIBGTHCDZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-2-7-5(10)8(6)4(3)9/h2H,6H2,1H3,(H,7,10).
What are the key properties of 3-amino-5-methyl-1H-pyrimidine-2,4-dione?
3-amino-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 141.13 g/mol, XLogP of -1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15101967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).