5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

C13H16N4O — CID 44573562

IUPAC5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Oc1cnc(N)nc1N
InChIInChI=1S/C13H16N4O/c1-8(2)9-5-3-4-6-10(9)18-11-7-16-13(15)17-12(11)14/h3-8H,1-2H3,(H4,14,15,16,17)
InChIKeyYILCHFFZMXESIM-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.56
Rot. Bonds3

About 5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine (PubChem CID 44573562) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
PubChem CID44573562
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Oc1cnc(N)nc1N
InChIInChI=1S/C13H16N4O/c1-8(2)9-5-3-4-6-10(9)18-11-7-16-13(15)17-12(11)14/h3-8H,1-2H3,(H4,14,15,16,17)
InChIKeyYILCHFFZMXESIM-UHFFFAOYSA-N
XLogP2.56
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine (CID 44573562) is 5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine is CC(C)c1ccccc1Oc1cnc(N)nc1N.
What is the InChIKey of 5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The InChIKey is YILCHFFZMXESIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8(2)9-5-3-4-6-10(9)18-11-7-16-13(15)17-12(11)14/h3-8H,1-2H3,(H4,14,15,16,17).
What are the key properties of 5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-ylphenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 44573562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).