3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one

C13H15N3O2 — CID 136535535

IUPAC3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
SMILESCOc1ncccc1Cn1cnc(C)c(C)c1=O
InChIInChI=1S/C13H15N3O2/c1-9-10(2)15-8-16(13(9)17)7-11-5-4-6-14-12(11)18-3/h4-6,8H,7H2,1-3H3
InChIKeyYHQDZAUWFTXZAP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.31
Rot. Bonds3

About 3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one

3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 136535535) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
PubChem CID136535535
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
SMILESCOc1ncccc1Cn1cnc(C)c(C)c1=O
InChIInChI=1S/C13H15N3O2/c1-9-10(2)15-8-16(13(9)17)7-11-5-4-6-14-12(11)18-3/h4-6,8H,7H2,1-3H3
InChIKeyYHQDZAUWFTXZAP-UHFFFAOYSA-N
XLogP1.31
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one (CID 136535535) is 3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one is COc1ncccc1Cn1cnc(C)c(C)c1=O.
What is the InChIKey of 3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is YHQDZAUWFTXZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-10(2)15-8-16(13(9)17)7-11-5-4-6-14-12(11)18-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one?
3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 245.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 136535535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).