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

C6H8N2O2 — CID 4181150

IUPAC5-methoxy-2-methyl-1H-pyrimidin-6-one
SMILESCOc1cnc(C)[nH]c1=O
InChIInChI=1S/C6H8N2O2/c1-4-7-3-5(10-2)6(9)8-4/h3H,1-2H3,(H,7,8,9)
InChIKeyHNRXBZSZNOSWGH-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.09
Rot. Bonds1

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

5-methoxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 4181150) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-2-methyl-1H-pyrimidin-6-one
PubChem CID4181150
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name5-methoxy-2-methyl-1H-pyrimidin-6-one
SMILESCOc1cnc(C)[nH]c1=O
InChIInChI=1S/C6H8N2O2/c1-4-7-3-5(10-2)6(9)8-4/h3H,1-2H3,(H,7,8,9)
InChIKeyHNRXBZSZNOSWGH-UHFFFAOYSA-N
XLogP0.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-2-methyl-1H-pyrimidin-6-one (CID 4181150) is 5-methoxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-2-methyl-1H-pyrimidin-6-one is COc1cnc(C)[nH]c1=O.
What is the InChIKey of 5-methoxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HNRXBZSZNOSWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-7-3-5(10-2)6(9)8-4/h3H,1-2H3,(H,7,8,9).
What are the key properties of 5-methoxy-2-methyl-1H-pyrimidin-6-one?
5-methoxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 140.14 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 4181150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).