5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine

C10H17N3O2 — CID 172587797

IUPAC5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine
SMILESCOCCOc1cnc(NC(C)C)nc1
InChIInChI=1S/C10H17N3O2/c1-8(2)13-10-11-6-9(7-12-10)15-5-4-14-3/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyLPVLTXDSIHMXEK-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.32
Rot. Bonds6

About 5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine

5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 172587797) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine
PubChem CID172587797
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine
SMILESCOCCOc1cnc(NC(C)C)nc1
InChIInChI=1S/C10H17N3O2/c1-8(2)13-10-11-6-9(7-12-10)15-5-4-14-3/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyLPVLTXDSIHMXEK-UHFFFAOYSA-N
XLogP1.32
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine (CID 172587797) is 5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine is COCCOc1cnc(NC(C)C)nc1.
What is the InChIKey of 5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is LPVLTXDSIHMXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)13-10-11-6-9(7-12-10)15-5-4-14-3/h6-8H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine?
5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 211.26 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 172587797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).