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

C6H9N3O3 — CID 144981895

IUPAC3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(O)n(C)c(=O)n(N)c1=O
InChIInChI=1S/C6H9N3O3/c1-3-4(10)8(2)6(12)9(7)5(3)11/h10H,7H2,1-2H3
InChIKeyNVQVNQDIJFAFEX-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.73
Rot. Bonds

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

3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 144981895) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione
PubChem CID144981895
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(O)n(C)c(=O)n(N)c1=O
InChIInChI=1S/C6H9N3O3/c1-3-4(10)8(2)6(12)9(7)5(3)11/h10H,7H2,1-2H3
InChIKeyNVQVNQDIJFAFEX-UHFFFAOYSA-N
XLogP-1.73
TPSA90.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione (CID 144981895) is 3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione is Cc1c(O)n(C)c(=O)n(N)c1=O.
What is the InChIKey of 3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is NVQVNQDIJFAFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-3-4(10)8(2)6(12)9(7)5(3)11/h10H,7H2,1-2H3.
What are the key properties of 3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione?
3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 171.16 g/mol, XLogP of -1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-hydroxy-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 144981895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).