6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine

C14H18N4O — CID 80862736

IUPAC6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine
SMILESCC(C)(C)c1ccccc1Oc1cc(N)nc(N)n1
InChIInChI=1S/C14H18N4O/c1-14(2,3)9-6-4-5-7-10(9)19-12-8-11(15)17-13(16)18-12/h4-8H,1-3H3,(H4,15,16,17,18)
InChIKeyOGCOKBOBLLZCLN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.73
Rot. Bonds2

About 6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine

6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine (PubChem CID 80862736) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine
PubChem CID80862736
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine
SMILESCC(C)(C)c1ccccc1Oc1cc(N)nc(N)n1
InChIInChI=1S/C14H18N4O/c1-14(2,3)9-6-4-5-7-10(9)19-12-8-11(15)17-13(16)18-12/h4-8H,1-3H3,(H4,15,16,17,18)
InChIKeyOGCOKBOBLLZCLN-UHFFFAOYSA-N
XLogP2.73
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine (CID 80862736) is 6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine is CC(C)(C)c1ccccc1Oc1cc(N)nc(N)n1.
What is the InChIKey of 6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine?
The InChIKey is OGCOKBOBLLZCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)9-6-4-5-7-10(9)19-12-8-11(15)17-13(16)18-12/h4-8H,1-3H3,(H4,15,16,17,18).
What are the key properties of 6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine?
6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80862736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).