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

C15H19N3O — CID 82300036

IUPAC4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCCOc1ccc(-c2cc(C(C)C)nc(N)n2)cc1
InChIInChI=1S/C15H19N3O/c1-4-19-12-7-5-11(6-8-12)14-9-13(10(2)3)17-15(16)18-14/h5-10H,4H2,1-3H3,(H2,16,17,18)
InChIKeyAUBVYDXQFKBWLN-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.25
Rot. Bonds4

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

4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 82300036) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID82300036
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCCOc1ccc(-c2cc(C(C)C)nc(N)n2)cc1
InChIInChI=1S/C15H19N3O/c1-4-19-12-7-5-11(6-8-12)14-9-13(10(2)3)17-15(16)18-14/h5-10H,4H2,1-3H3,(H2,16,17,18)
InChIKeyAUBVYDXQFKBWLN-UHFFFAOYSA-N
XLogP3.25
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine (CID 82300036) is 4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine is CCOc1ccc(-c2cc(C(C)C)nc(N)n2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is AUBVYDXQFKBWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-19-12-7-5-11(6-8-12)14-9-13(10(2)3)17-15(16)18-14/h5-10H,4H2,1-3H3,(H2,16,17,18).
What are the key properties of 4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine?
4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 82300036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).