5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine

C15H21N3O — CID 104806638

IUPAC5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2occc2C)nc(C)c1CC
InChIInChI=1S/C15H21N3O/c1-5-8-16-14-12(6-2)11(4)17-15(18-14)13-10(3)7-9-19-13/h7,9H,5-6,8H2,1-4H3,(H,16,17,18)
InChIKeyGBNYFGSAYGPZKN-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.74
Rot. Bonds5

About 5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine

5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 104806638) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine
PubChem CID104806638
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2occc2C)nc(C)c1CC
InChIInChI=1S/C15H21N3O/c1-5-8-16-14-12(6-2)11(4)17-15(18-14)13-10(3)7-9-19-13/h7,9H,5-6,8H2,1-4H3,(H,16,17,18)
InChIKeyGBNYFGSAYGPZKN-UHFFFAOYSA-N
XLogP3.74
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine (CID 104806638) is 5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2occc2C)nc(C)c1CC.
What is the InChIKey of 5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is GBNYFGSAYGPZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-8-16-14-12(6-2)11(4)17-15(18-14)13-10(3)7-9-19-13/h7,9H,5-6,8H2,1-4H3,(H,16,17,18).
What are the key properties of 5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine?
5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 259.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 104806638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).