3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine

C15H21N3O — CID 104790857

IUPAC3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(-c2ccoc2C)nc1C
InChIInChI=1S/C15H21N3O/c1-10-13(6-5-8-16-4)11(2)18-15(17-10)14-7-9-19-12(14)3/h7,9,16H,5-6,8H2,1-4H3
InChIKeyDYLAHYKNYGMJKG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.81
Rot. Bonds5

About 3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine

3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine (PubChem CID 104790857) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
PubChem CID104790857
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(-c2ccoc2C)nc1C
InChIInChI=1S/C15H21N3O/c1-10-13(6-5-8-16-4)11(2)18-15(17-10)14-7-9-19-12(14)3/h7,9,16H,5-6,8H2,1-4H3
InChIKeyDYLAHYKNYGMJKG-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 62746134
N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788968
3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 62744903
N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138338
2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine
CID 104790887
N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790643
3-[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 106849840
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745255
2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine
CID 114282698
N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 104807289
[6-methyl-2-(2-methylfuran-3-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 104790765

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine (CID 104790857) is 3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine is CNCCCc1c(C)nc(-c2ccoc2C)nc1C.
What is the InChIKey of 3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The InChIKey is DYLAHYKNYGMJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-13(6-5-8-16-4)11(2)18-15(17-10)14-7-9-19-12(14)3/h7,9,16H,5-6,8H2,1-4H3.
What are the key properties of 3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine?
3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 104790857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).