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

C9H8N4O2 — CID 51040290

IUPAC5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one
SMILESCOc1cnc(-c2ncccn2)[nH]c1=O
InChIInChI=1S/C9H8N4O2/c1-15-6-5-12-8(13-9(6)14)7-10-3-2-4-11-7/h2-5H,1H3,(H,12,13,14)
InChIKeyHRVKSDYTZHMPIY-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.24
Rot. Bonds2

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

5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one (PubChem CID 51040290) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one
PubChem CID51040290
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one
SMILESCOc1cnc(-c2ncccn2)[nH]c1=O
InChIInChI=1S/C9H8N4O2/c1-15-6-5-12-8(13-9(6)14)7-10-3-2-4-11-7/h2-5H,1H3,(H,12,13,14)
InChIKeyHRVKSDYTZHMPIY-UHFFFAOYSA-N
XLogP0.24
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one (CID 51040290) is 5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one is COc1cnc(-c2ncccn2)[nH]c1=O.
What is the InChIKey of 5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is HRVKSDYTZHMPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-15-6-5-12-8(13-9(6)14)7-10-3-2-4-11-7/h2-5H,1H3,(H,12,13,14).
What are the key properties of 5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one?
5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 204.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyrimidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 51040290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).