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

C14H18N4O2 — CID 71206317

IUPAC4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
SMILESCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1O
InChIInChI=1S/C14H18N4O2/c1-7(2)9-5-10(19)8(3)4-11(9)20-12-6-17-14(16)18-13(12)15/h4-7,19H,1-3H3,(H4,15,16,17,18)
InChIKeyIMXJGDBIPKJDCS-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.57
Rot. Bonds3

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

4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol (PubChem CID 71206317) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
PubChem CID71206317
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
SMILESCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1O
InChIInChI=1S/C14H18N4O2/c1-7(2)9-5-10(19)8(3)4-11(9)20-12-6-17-14(16)18-13(12)15/h4-7,19H,1-3H3,(H4,15,16,17,18)
InChIKeyIMXJGDBIPKJDCS-UHFFFAOYSA-N
XLogP2.57
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol 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 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol?
The IUPAC name of 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol (CID 71206317) is 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol.
What is the SMILES notation for 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol?
The canonical SMILES for 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol is Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1O.
What is the InChIKey of 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol?
The InChIKey is IMXJGDBIPKJDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-7(2)9-5-10(19)8(3)4-11(9)20-12-6-17-14(16)18-13(12)15/h4-7,19H,1-3H3,(H4,15,16,17,18).
What are the key properties of 4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol?
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol has a molecular weight of 274.32 g/mol, XLogP of 2.57, 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-methyl-5-propan-2-ylphenol is sourced from PubChem (CID 71206317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).