1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione

C16H21N2O7P — CID 144706650

IUPAC1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione
SMILESCOP(=O)(COC(CO)Cn1ccc(=O)[nH]c1=O)OCc1ccccc1
InChIInChI=1S/C16H21N2O7P/c1-23-26(22,25-11-13-5-3-2-4-6-13)12-24-14(10-19)9-18-8-7-15(20)17-16(18)21/h2-8,14,19H,9-12H2,1H3,(H,17,20,21)
InChIKeyRJLZTQYDSHTKLF-UHFFFAOYSA-N
MW384.33 g/mol
LogP0.93
Rot. Bonds10

About 1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione

1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione (PubChem CID 144706650) has the molecular formula C16H21N2O7P and a molecular weight of 384.33 g/mol. Its IUPAC name is 1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione
PubChem CID144706650
Molecular FormulaC16H21N2O7P
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC Name1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione
SMILESCOP(=O)(COC(CO)Cn1ccc(=O)[nH]c1=O)OCc1ccccc1
InChIInChI=1S/C16H21N2O7P/c1-23-26(22,25-11-13-5-3-2-4-6-13)12-24-14(10-19)9-18-8-7-15(20)17-16(18)21/h2-8,14,19H,9-12H2,1H3,(H,17,20,21)
InChIKeyRJLZTQYDSHTKLF-UHFFFAOYSA-N
XLogP0.93
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione (CID 144706650) is 1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione is COP(=O)(COC(CO)Cn1ccc(=O)[nH]c1=O)OCc1ccccc1.
What is the InChIKey of 1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione?
The InChIKey is RJLZTQYDSHTKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N2O7P/c1-23-26(22,25-11-13-5-3-2-4-6-13)12-24-14(10-19)9-18-8-7-15(20)17-16(18)21/h2-8,14,19H,9-12H2,1H3,(H,17,20,21).
What are the key properties of 1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione?
1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione has a molecular weight of 384.33 g/mol, XLogP of 0.93, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-2-[[methoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 144706650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).