6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine

C13H14ClN3O — CID 80965679

IUPAC6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H14ClN3O/c1-8(2)13-16-11(15)7-12(17-13)18-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyVOKAWVJAPLUYTN-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.63
Rot. Bonds3

About 6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine

6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80965679) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80965679
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H14ClN3O/c1-8(2)13-16-11(15)7-12(17-13)18-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyVOKAWVJAPLUYTN-UHFFFAOYSA-N
XLogP3.63
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine (CID 80965679) is 6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is VOKAWVJAPLUYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8(2)13-16-11(15)7-12(17-13)18-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine?
6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80965679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).