6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine

C15H20N4O — CID 80962777

IUPAC6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C15H20N4O/c1-10(2)15-17-13(16)9-14(18-15)20-12-7-5-6-11(8-12)19(3)4/h5-10H,1-4H3,(H2,16,17,18)
InChIKeyQQYLKSAWTIHUHG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.04
Rot. Bonds4

About 6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine

6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80962777) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine
PubChem CID80962777
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C15H20N4O/c1-10(2)15-17-13(16)9-14(18-15)20-12-7-5-6-11(8-12)19(3)4/h5-10H,1-4H3,(H2,16,17,18)
InChIKeyQQYLKSAWTIHUHG-UHFFFAOYSA-N
XLogP3.04
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine (CID 80962777) is 6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(Oc2cccc(N(C)C)c2)n1.
What is the InChIKey of 6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QQYLKSAWTIHUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)15-17-13(16)9-14(18-15)20-12-7-5-6-11(8-12)19(3)4/h5-10H,1-4H3,(H2,16,17,18).
What are the key properties of 6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine?
6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 272.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80962777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).