2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine

C13H17N3O — CID 62344723

IUPAC2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCCc1ccc(-c2nc(C)c(C)c(NC)n2)o1
InChIInChI=1S/C13H17N3O/c1-5-10-6-7-11(17-10)13-15-9(3)8(2)12(14-4)16-13/h6-7H,5H2,1-4H3,(H,14,15,16)
InChIKeyFYLGORCZRYDTQY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.96
Rot. Bonds3

About 2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine

2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 62344723) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine
PubChem CID62344723
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCCc1ccc(-c2nc(C)c(C)c(NC)n2)o1
InChIInChI=1S/C13H17N3O/c1-5-10-6-7-11(17-10)13-15-9(3)8(2)12(14-4)16-13/h6-7H,5H2,1-4H3,(H,14,15,16)
InChIKeyFYLGORCZRYDTQY-UHFFFAOYSA-N
XLogP2.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine (CID 62344723) is 2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine is CCc1ccc(-c2nc(C)c(C)c(NC)n2)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is FYLGORCZRYDTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-5-10-6-7-11(17-10)13-15-9(3)8(2)12(14-4)16-13/h6-7H,5H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine?
2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-yl)-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 62344723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).