5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine

C15H20IN5O2 — CID 126513190

IUPAC5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cc(OCCN)c(I)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C15H20IN5O2/c1-8(2)9-5-12(22-4-3-17)10(16)6-11(9)23-13-7-20-15(19)21-14(13)18/h5-8H,3-4,17H2,1-2H3,(H4,18,19,20,21)
InChIKeyLAFWHKTYHCVJLB-UHFFFAOYSA-N
MW429.26 g/mol
LogP2.50
Rot. Bonds6

About 5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine

5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine (PubChem CID 126513190) has the molecular formula C15H20IN5O2 and a molecular weight of 429.26 g/mol. Its IUPAC name is 5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
PubChem CID126513190
Molecular FormulaC15H20IN5O2
Molecular Weight429.26 g/mol
Exact Mass429.07
IUPAC Name5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cc(OCCN)c(I)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C15H20IN5O2/c1-8(2)9-5-12(22-4-3-17)10(16)6-11(9)23-13-7-20-15(19)21-14(13)18/h5-8H,3-4,17H2,1-2H3,(H4,18,19,20,21)
InChIKeyLAFWHKTYHCVJLB-UHFFFAOYSA-N
XLogP2.50
TPSA122.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.26
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine (CID 126513190) is 5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine is CC(C)c1cc(OCCN)c(I)cc1Oc1cnc(N)nc1N.
What is the InChIKey of 5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine?
The InChIKey is LAFWHKTYHCVJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN5O2/c1-8(2)9-5-12(22-4-3-17)10(16)6-11(9)23-13-7-20-15(19)21-14(13)18/h5-8H,3-4,17H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine?
5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine has a molecular weight of 429.26 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 126513190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).