6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine

C13H24IN4O5P — CID 11225264

IUPAC6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine
SMILESCC(C)OP(=O)(COCCOc1nc(N)nc(N)c1I)OC(C)C
InChIInChI=1S/C13H24IN4O5P/c1-8(2)22-24(19,23-9(3)4)7-20-5-6-21-12-10(14)11(15)17-13(16)18-12/h8-9H,5-7H2,1-4H3,(H4,15,16,17,18)
InChIKeyPHAWLBMVTHRWHI-UHFFFAOYSA-N
MW474.24 g/mol
LogP2.64
Rot. Bonds10

About 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine

6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine (PubChem CID 11225264) has the molecular formula C13H24IN4O5P and a molecular weight of 474.24 g/mol. Its IUPAC name is 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine
PubChem CID11225264
Molecular FormulaC13H24IN4O5P
Molecular Weight474.24 g/mol
Exact Mass474.05
IUPAC Name6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine
SMILESCC(C)OP(=O)(COCCOc1nc(N)nc(N)c1I)OC(C)C
InChIInChI=1S/C13H24IN4O5P/c1-8(2)22-24(19,23-9(3)4)7-20-5-6-21-12-10(14)11(15)17-13(16)18-12/h8-9H,5-7H2,1-4H3,(H4,15,16,17,18)
InChIKeyPHAWLBMVTHRWHI-UHFFFAOYSA-N
XLogP2.64
TPSA131.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine?
The IUPAC name of 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine (CID 11225264) is 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine is CC(C)OP(=O)(COCCOc1nc(N)nc(N)c1I)OC(C)C.
What is the InChIKey of 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine?
The InChIKey is PHAWLBMVTHRWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24IN4O5P/c1-8(2)22-24(19,23-9(3)4)7-20-5-6-21-12-10(14)11(15)17-13(16)18-12/h8-9H,5-7H2,1-4H3,(H4,15,16,17,18).
What are the key properties of 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine?
6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine has a molecular weight of 474.24 g/mol, XLogP of 2.64, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-5-iodopyrimidine-2,4-diamine is sourced from PubChem (CID 11225264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).