3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane

C23H30N2O2 — CID 91343480

IUPAC3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane
SMILESCC.CC.Cc1nc(OCc2ccccc2)cc(=O)n1Cc1ccccc1
InChIInChI=1S/C19H18N2O2.2C2H6/c1-15-20-18(23-14-17-10-6-3-7-11-17)12-19(22)21(15)13-16-8-4-2-5-9-16;2*1-2/h2-12H,13-14H2,1H3;2*1-2H3
InChIKeyACWHDRQJONBSNE-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.23
Rot. Bonds5

About 3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane

3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane (PubChem CID 91343480) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane.

Molecular Properties

Compound Name3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane
PubChem CID91343480
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane
SMILESCC.CC.Cc1nc(OCc2ccccc2)cc(=O)n1Cc1ccccc1
InChIInChI=1S/C19H18N2O2.2C2H6/c1-15-20-18(23-14-17-10-6-3-7-11-17)12-19(22)21(15)13-16-8-4-2-5-9-16;2*1-2/h2-12H,13-14H2,1H3;2*1-2H3
InChIKeyACWHDRQJONBSNE-UHFFFAOYSA-N
XLogP5.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane?
The IUPAC name of 3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane (CID 91343480) is 3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane.
What is the SMILES notation for 3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane?
The canonical SMILES for 3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane is CC.CC.Cc1nc(OCc2ccccc2)cc(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane?
The InChIKey is ACWHDRQJONBSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.2C2H6/c1-15-20-18(23-14-17-10-6-3-7-11-17)12-19(22)21(15)13-16-8-4-2-5-9-16;2*1-2/h2-12H,13-14H2,1H3;2*1-2H3.
What are the key properties of 3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane?
3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane has a molecular weight of 366.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane is sourced from PubChem (CID 91343480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).