6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione

C5H6N2O4 — CID 67303112

IUPAC6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione
SMILESCOc1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O4/c1-11-2-3(8)6-5(10)7-4(2)9/h1H3,(H3,6,7,8,9,10)
InChIKeyFGKVVWXNTCPMDF-UHFFFAOYSA-N
MW158.11 g/mol
LogP-1.22
Rot. Bonds1

About 6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione

6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione (PubChem CID 67303112) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is 6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione
PubChem CID67303112
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione
SMILESCOc1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O4/c1-11-2-3(8)6-5(10)7-4(2)9/h1H3,(H3,6,7,8,9,10)
InChIKeyFGKVVWXNTCPMDF-UHFFFAOYSA-N
XLogP-1.22
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione (CID 67303112) is 6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione is COc1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione?
The InChIKey is FGKVVWXNTCPMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c1-11-2-3(8)6-5(10)7-4(2)9/h1H3,(H3,6,7,8,9,10).
What are the key properties of 6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione?
6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione has a molecular weight of 158.11 g/mol, XLogP of -1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67303112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).