4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one

C13H14N2O2 — CID 135406787

IUPAC4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one
SMILESCc1cccc(OCc2nc(C)cc(=O)[nH]2)c1
InChIInChI=1S/C13H14N2O2/c1-9-4-3-5-11(6-9)17-8-12-14-10(2)7-13(16)15-12/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyIMQFKJAIUBQTNX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.97
Rot. Bonds3

About 4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one

4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 135406787) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one
PubChem CID135406787
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one
SMILESCc1cccc(OCc2nc(C)cc(=O)[nH]2)c1
InChIInChI=1S/C13H14N2O2/c1-9-4-3-5-11(6-9)17-8-12-14-10(2)7-13(16)15-12/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyIMQFKJAIUBQTNX-UHFFFAOYSA-N
XLogP1.97
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one (CID 135406787) is 4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one is Cc1cccc(OCc2nc(C)cc(=O)[nH]2)c1.
What is the InChIKey of 4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is IMQFKJAIUBQTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-4-3-5-11(6-9)17-8-12-14-10(2)7-13(16)15-12/h3-7H,8H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one?
4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 230.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylphenoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135406787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).