5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one

C11H11N3O2 — CID 136692798

IUPAC5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCOc1c(-c2ccc(C)nc2)nc[nH]c1=O
InChIInChI=1S/C11H11N3O2/c1-7-3-4-8(5-12-7)9-10(16-2)11(15)14-6-13-9/h3-6H,1-2H3,(H,13,14,15)
InChIKeyRQJAXOXDKGDCTL-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.15
Rot. Bonds2

About 5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one

5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 136692798) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
PubChem CID136692798
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCOc1c(-c2ccc(C)nc2)nc[nH]c1=O
InChIInChI=1S/C11H11N3O2/c1-7-3-4-8(5-12-7)9-10(16-2)11(15)14-6-13-9/h3-6H,1-2H3,(H,13,14,15)
InChIKeyRQJAXOXDKGDCTL-UHFFFAOYSA-N
XLogP1.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692477
4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691696
4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852
5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one
CID 136955551
4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136692328
5-methoxy-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136692811
4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692261
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136692107
5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769335
4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692382
5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691786
4-(5-chlorothiophen-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136769687

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one (CID 136692798) is 5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one is COc1c(-c2ccc(C)nc2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is RQJAXOXDKGDCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-3-4-8(5-12-7)9-10(16-2)11(15)14-6-13-9/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 217.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136692798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).