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

C22H24N2O4 — CID 90681097

IUPAC6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CC(COCc2ccccc2)COCc2ccccc2)[nH]c(=O)[nH]1
InChIInChI=1S/C22H24N2O4/c25-21-12-20(23-22(26)24-21)11-19(15-27-13-17-7-3-1-4-8-17)16-28-14-18-9-5-2-6-10-18/h1-10,12,19H,11,13-16H2,(H2,23,24,25,26)
InChIKeyAMWCTWOBLLKCMJ-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.66
Rot. Bonds10

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

6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione (PubChem CID 90681097) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione
PubChem CID90681097
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CC(COCc2ccccc2)COCc2ccccc2)[nH]c(=O)[nH]1
InChIInChI=1S/C22H24N2O4/c25-21-12-20(23-22(26)24-21)11-19(15-27-13-17-7-3-1-4-8-17)16-28-14-18-9-5-2-6-10-18/h1-10,12,19H,11,13-16H2,(H2,23,24,25,26)
InChIKeyAMWCTWOBLLKCMJ-UHFFFAOYSA-N
XLogP2.66
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione (CID 90681097) is 6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione is O=c1cc(CC(COCc2ccccc2)COCc2ccccc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is AMWCTWOBLLKCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-21-12-20(23-22(26)24-21)11-19(15-27-13-17-7-3-1-4-8-17)16-28-14-18-9-5-2-6-10-18/h1-10,12,19H,11,13-16H2,(H2,23,24,25,26).
What are the key properties of 6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione?
6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 380.44 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90681097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).