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

C24H28N2O5 — CID 90681098

IUPAC1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione
SMILESCOCn1c(CC(COCc2ccccc2)COCc2ccccc2)cc(=O)[nH]c1=O
InChIInChI=1S/C24H28N2O5/c1-29-18-26-22(13-23(27)25-24(26)28)12-21(16-30-14-19-8-4-2-5-9-19)17-31-15-20-10-6-3-7-11-20/h2-11,13,21H,12,14-18H2,1H3,(H,25,27,28)
InChIKeyXKUYWJKVIZFJDO-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.73
Rot. Bonds12

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

1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione (PubChem CID 90681098) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione
PubChem CID90681098
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione
SMILESCOCn1c(CC(COCc2ccccc2)COCc2ccccc2)cc(=O)[nH]c1=O
InChIInChI=1S/C24H28N2O5/c1-29-18-26-22(13-23(27)25-24(26)28)12-21(16-30-14-19-8-4-2-5-9-19)17-31-15-20-10-6-3-7-11-20/h2-11,13,21H,12,14-18H2,1H3,(H,25,27,28)
InChIKeyXKUYWJKVIZFJDO-UHFFFAOYSA-N
XLogP2.73
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione (CID 90681098) is 1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione is COCn1c(CC(COCc2ccccc2)COCc2ccccc2)cc(=O)[nH]c1=O.
What is the InChIKey of 1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione?
The InChIKey is XKUYWJKVIZFJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-29-18-26-22(13-23(27)25-24(26)28)12-21(16-30-14-19-8-4-2-5-9-19)17-31-15-20-10-6-3-7-11-20/h2-11,13,21H,12,14-18H2,1H3,(H,25,27,28).
What are the key properties of 1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione?
1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione has a molecular weight of 424.50 g/mol, XLogP of 2.73, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 90681098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).