3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione

C25H30N2O5 — CID 90681090

IUPAC3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione
SMILESCOCn1c(=O)[nH]c(CC(COCc2ccccc2)COCc2ccccc2)c(C)c1=O
InChIInChI=1S/C25H30N2O5/c1-19-23(26-25(29)27(18-30-2)24(19)28)13-22(16-31-14-20-9-5-3-6-10-20)17-32-15-21-11-7-4-8-12-21/h3-12,22H,13-18H2,1-2H3,(H,26,29)
InChIKeyCUACBKAHTCYLJL-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.04
Rot. Bonds12

About 3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione

3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione (PubChem CID 90681090) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione
PubChem CID90681090
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione
SMILESCOCn1c(=O)[nH]c(CC(COCc2ccccc2)COCc2ccccc2)c(C)c1=O
InChIInChI=1S/C25H30N2O5/c1-19-23(26-25(29)27(18-30-2)24(19)28)13-22(16-31-14-20-9-5-3-6-10-20)17-32-15-21-11-7-4-8-12-21/h3-12,22H,13-18H2,1-2H3,(H,26,29)
InChIKeyCUACBKAHTCYLJL-UHFFFAOYSA-N
XLogP3.04
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione (CID 90681090) is 3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione is COCn1c(=O)[nH]c(CC(COCc2ccccc2)COCc2ccccc2)c(C)c1=O.
What is the InChIKey of 3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CUACBKAHTCYLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-19-23(26-25(29)27(18-30-2)24(19)28)13-22(16-31-14-20-9-5-3-6-10-20)17-32-15-21-11-7-4-8-12-21/h3-12,22H,13-18H2,1-2H3,(H,26,29).
What are the key properties of 3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione?
3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 438.52 g/mol, XLogP of 3.04, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90681090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).