5-hydroxy-6-methoxy-1H-pyrimidin-2-one

C5H6N2O3 — CID 45080305

IUPAC5-hydroxy-6-methoxy-1H-pyrimidin-2-one
SMILESCOc1[nH]c(=O)ncc1O
InChIInChI=1S/C5H6N2O3/c1-10-4-3(8)2-6-5(9)7-4/h2,8H,1H3,(H,6,7,9)
InChIKeyDZJFKLMPGCKXAX-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.52
Rot. Bonds1

About 5-hydroxy-6-methoxy-1H-pyrimidin-2-one

5-hydroxy-6-methoxy-1H-pyrimidin-2-one (PubChem CID 45080305) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 5-hydroxy-6-methoxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-hydroxy-6-methoxy-1H-pyrimidin-2-one
PubChem CID45080305
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name5-hydroxy-6-methoxy-1H-pyrimidin-2-one
SMILESCOc1[nH]c(=O)ncc1O
InChIInChI=1S/C5H6N2O3/c1-10-4-3(8)2-6-5(9)7-4/h2,8H,1H3,(H,6,7,9)
InChIKeyDZJFKLMPGCKXAX-UHFFFAOYSA-N
XLogP-0.52
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methoxy-1H-pyrimidin-2-one?
The IUPAC name of 5-hydroxy-6-methoxy-1H-pyrimidin-2-one (CID 45080305) is 5-hydroxy-6-methoxy-1H-pyrimidin-2-one.
What is the SMILES notation for 5-hydroxy-6-methoxy-1H-pyrimidin-2-one?
The canonical SMILES for 5-hydroxy-6-methoxy-1H-pyrimidin-2-one is COc1[nH]c(=O)ncc1O.
What is the InChIKey of 5-hydroxy-6-methoxy-1H-pyrimidin-2-one?
The InChIKey is DZJFKLMPGCKXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-10-4-3(8)2-6-5(9)7-4/h2,8H,1H3,(H,6,7,9).
What are the key properties of 5-hydroxy-6-methoxy-1H-pyrimidin-2-one?
5-hydroxy-6-methoxy-1H-pyrimidin-2-one has a molecular weight of 142.11 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methoxy-1H-pyrimidin-2-one is sourced from PubChem (CID 45080305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).