4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol

C13H15IN4O2 — CID 15953864

IUPAC4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(I)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C13H15IN4O2/c1-6(2)7-3-9(19)8(14)4-10(7)20-11-5-17-13(16)18-12(11)15/h3-6,19H,1-2H3,(H4,15,16,17,18)
InChIKeyQHEAZCABDDLXHC-UHFFFAOYSA-N
MW386.19 g/mol
LogP2.87
Rot. Bonds3

About 4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol

4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol (PubChem CID 15953864) has the molecular formula C13H15IN4O2 and a molecular weight of 386.19 g/mol. Its IUPAC name is 4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol
PubChem CID15953864
Molecular FormulaC13H15IN4O2
Molecular Weight386.19 g/mol
Exact Mass386.02
IUPAC Name4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(I)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C13H15IN4O2/c1-6(2)7-3-9(19)8(14)4-10(7)20-11-5-17-13(16)18-12(11)15/h3-6,19H,1-2H3,(H4,15,16,17,18)
InChIKeyQHEAZCABDDLXHC-UHFFFAOYSA-N
XLogP2.87
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol?
The IUPAC name of 4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol (CID 15953864) is 4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol.
What is the SMILES notation for 4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol?
The canonical SMILES for 4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol is CC(C)c1cc(O)c(I)cc1Oc1cnc(N)nc1N.
What is the InChIKey of 4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol?
The InChIKey is QHEAZCABDDLXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4O2/c1-6(2)7-3-9(19)8(14)4-10(7)20-11-5-17-13(16)18-12(11)15/h3-6,19H,1-2H3,(H4,15,16,17,18).
What are the key properties of 4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol?
4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol has a molecular weight of 386.19 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-5-propan-2-ylphenol is sourced from PubChem (CID 15953864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).