3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine

C16H27N3O2 — CID 65351698

IUPAC3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(C2COCCO2)nc(C)c1CCCNC(C)C
InChIInChI=1S/C16H27N3O2/c1-11(2)17-7-5-6-14-12(3)18-16(19-13(14)4)15-10-20-8-9-21-15/h11,15,17H,5-10H2,1-4H3
InChIKeyXUCWHPACYVOISX-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.11
Rot. Bonds6

About 3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine

3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 65351698) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
PubChem CID65351698
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(C2COCCO2)nc(C)c1CCCNC(C)C
InChIInChI=1S/C16H27N3O2/c1-11(2)17-7-5-6-14-12(3)18-16(19-13(14)4)15-10-20-8-9-21-15/h11,15,17H,5-10H2,1-4H3
InChIKeyXUCWHPACYVOISX-UHFFFAOYSA-N
XLogP2.11
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.11
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 3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine (CID 65351698) is 3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine is Cc1nc(C2COCCO2)nc(C)c1CCCNC(C)C.
What is the InChIKey of 3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is XUCWHPACYVOISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)17-7-5-6-14-12(3)18-16(19-13(14)4)15-10-20-8-9-21-15/h11,15,17H,5-10H2,1-4H3.
What are the key properties of 3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,4-dioxan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65351698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).