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

C18H25N2O7P — CID 144706657

IUPAC1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione
SMILESCCCOP(=O)(COC(CO)Cn1ccc(=O)[nH]c1=O)OCc1ccccc1
InChIInChI=1S/C18H25N2O7P/c1-2-10-26-28(24,27-13-15-6-4-3-5-7-15)14-25-16(12-21)11-20-9-8-17(22)19-18(20)23/h3-9,16,21H,2,10-14H2,1H3,(H,19,22,23)
InChIKeyHIUIWQOKQCENDY-UHFFFAOYSA-N
MW412.38 g/mol
LogP1.71
Rot. Bonds12

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

1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione (PubChem CID 144706657) has the molecular formula C18H25N2O7P and a molecular weight of 412.38 g/mol. Its IUPAC name is 1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione
PubChem CID144706657
Molecular FormulaC18H25N2O7P
Molecular Weight412.38 g/mol
Exact Mass412.14
IUPAC Name1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione
SMILESCCCOP(=O)(COC(CO)Cn1ccc(=O)[nH]c1=O)OCc1ccccc1
InChIInChI=1S/C18H25N2O7P/c1-2-10-26-28(24,27-13-15-6-4-3-5-7-15)14-25-16(12-21)11-20-9-8-17(22)19-18(20)23/h3-9,16,21H,2,10-14H2,1H3,(H,19,22,23)
InChIKeyHIUIWQOKQCENDY-UHFFFAOYSA-N
XLogP1.71
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 51.71
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-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione (CID 144706657) is 1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione is CCCOP(=O)(COC(CO)Cn1ccc(=O)[nH]c1=O)OCc1ccccc1.
What is the InChIKey of 1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione?
The InChIKey is HIUIWQOKQCENDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2O7P/c1-2-10-26-28(24,27-13-15-6-4-3-5-7-15)14-25-16(12-21)11-20-9-8-17(22)19-18(20)23/h3-9,16,21H,2,10-14H2,1H3,(H,19,22,23).
What are the key properties of 1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione?
1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione has a molecular weight of 412.38 g/mol, XLogP of 1.71, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-2-[[phenylmethoxy(propoxy)phosphoryl]methoxy]propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 144706657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).