4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol

C16H21N3O — CID 135978666

IUPAC4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol
SMILESCCNc1nc(-c2cc(C)c(O)c(C)c2)nc(C)c1C
InChIInChI=1S/C16H21N3O/c1-6-17-15-11(4)12(5)18-16(19-15)13-7-9(2)14(20)10(3)8-13/h7-8,20H,6H2,1-5H3,(H,17,18,19)
InChIKeyAEBNSOCSUIRHQB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.51
Rot. Bonds3

About 4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol

4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol (PubChem CID 135978666) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol
PubChem CID135978666
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol
SMILESCCNc1nc(-c2cc(C)c(O)c(C)c2)nc(C)c1C
InChIInChI=1S/C16H21N3O/c1-6-17-15-11(4)12(5)18-16(19-15)13-7-9(2)14(20)10(3)8-13/h7-8,20H,6H2,1-5H3,(H,17,18,19)
InChIKeyAEBNSOCSUIRHQB-UHFFFAOYSA-N
XLogP3.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol (CID 135978666) is 4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol is CCNc1nc(-c2cc(C)c(O)c(C)c2)nc(C)c1C.
What is the InChIKey of 4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol?
The InChIKey is AEBNSOCSUIRHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-6-17-15-11(4)12(5)18-16(19-15)13-7-9(2)14(20)10(3)8-13/h7-8,20H,6H2,1-5H3,(H,17,18,19).
What are the key properties of 4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol?
4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol has a molecular weight of 271.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol is sourced from PubChem (CID 135978666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).