2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine

C15H27N3O2 — CID 83188927

IUPAC2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCCCOCCOc1ncc(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C15H27N3O2/c1-6-7-19-8-9-20-14-16-10-13(12(2)18-14)11-17-15(3,4)5/h10,17H,6-9,11H2,1-5H3
InChIKeyLDLLMKPLZSCUCO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.48
Rot. Bonds8

About 2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine

2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83188927) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83188927
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCCCOCCOc1ncc(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C15H27N3O2/c1-6-7-19-8-9-20-14-16-10-13(12(2)18-14)11-17-15(3,4)5/h10,17H,6-9,11H2,1-5H3
InChIKeyLDLLMKPLZSCUCO-UHFFFAOYSA-N
XLogP2.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.48
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-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine (CID 83188927) is 2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine is CCCOCCOc1ncc(CNC(C)(C)C)c(C)n1.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is LDLLMKPLZSCUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-7-19-8-9-20-14-16-10-13(12(2)18-14)11-17-15(3,4)5/h10,17H,6-9,11H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83188927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).