1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone

C14H14N2O2 — CID 170640785

IUPAC1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone
SMILESCC(=O)c1nc(C)cc(OCc2ccccc2)n1
InChIInChI=1S/C14H14N2O2/c1-10-8-13(16-14(15-10)11(2)17)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyDEULMZDFCYSUNZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone

1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone (PubChem CID 170640785) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone
PubChem CID170640785
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone
SMILESCC(=O)c1nc(C)cc(OCc2ccccc2)n1
InChIInChI=1S/C14H14N2O2/c1-10-8-13(16-14(15-10)11(2)17)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyDEULMZDFCYSUNZ-UHFFFAOYSA-N
XLogP2.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
CID 118546342
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
CID 95922321
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
2-methyl-6-phenylmethoxypyridine-4-carboximidamide
CID 114769208
4-methyl-6-phenoxy-2-phenylmethoxypyrimidine
CID 19693906
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide
CID 24768444
2-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)oxyacetic acid
CID 70198672
N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine
CID 95922726
2-methyl-5-phenylmethoxypyrazine
CID 129054090
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone
CID 15186733

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone?
The IUPAC name of 1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone (CID 170640785) is 1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone is CC(=O)c1nc(C)cc(OCc2ccccc2)n1.
What is the InChIKey of 1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone?
The InChIKey is DEULMZDFCYSUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-8-13(16-14(15-10)11(2)17)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3.
What are the key properties of 1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone?
1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone has a molecular weight of 242.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone is sourced from PubChem (CID 170640785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).