2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine

C16H23N3O2 — CID 62757289

IUPAC2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)c1c(C)nc(-c2ccco2)nc1C
InChIInChI=1S/C16H23N3O2/c1-11(10-17-7-9-20-4)15-12(2)18-16(19-13(15)3)14-6-5-8-21-14/h5-6,8,11,17H,7,9-10H2,1-4H3
InChIKeyUHSSDWXIIJEFSC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.69
Rot. Bonds7

About 2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine

2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62757289) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
PubChem CID62757289
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)c1c(C)nc(-c2ccco2)nc1C
InChIInChI=1S/C16H23N3O2/c1-11(10-17-7-9-20-4)15-12(2)18-16(19-13(15)3)14-6-5-8-21-14/h5-6,8,11,17H,7,9-10H2,1-4H3
InChIKeyUHSSDWXIIJEFSC-UHFFFAOYSA-N
XLogP2.69
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine (CID 62757289) is 2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)c1c(C)nc(-c2ccco2)nc1C.
What is the InChIKey of 2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is UHSSDWXIIJEFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(10-17-7-9-20-4)15-12(2)18-16(19-13(15)3)14-6-5-8-21-14/h5-6,8,11,17H,7,9-10H2,1-4H3.
What are the key properties of 2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine?
2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62757289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).