2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine

C9H15N3O3 — CID 116798022

IUPAC2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
SMILESCOCCOCCOc1nccc(N)n1
InChIInChI=1S/C9H15N3O3/c1-13-4-5-14-6-7-15-9-11-3-2-8(10)12-9/h2-3H,4-7H2,1H3,(H2,10,11,12)
InChIKeyPASQWAZOVSBHNR-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.10
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine

2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine (PubChem CID 116798022) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
PubChem CID116798022
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
SMILESCOCCOCCOc1nccc(N)n1
InChIInChI=1S/C9H15N3O3/c1-13-4-5-14-6-7-15-9-11-3-2-8(10)12-9/h2-3H,4-7H2,1H3,(H2,10,11,12)
InChIKeyPASQWAZOVSBHNR-UHFFFAOYSA-N
XLogP0.10
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
CID 57017014
4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-amine
CID 104568278
O-(4-aminopyrimidin-2-yl)hydroxylamine
CID 138667214
2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 116798007
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-4-amine
CID 104559850
2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
CID 107554746
2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 116798000
2-(methoxymethyl)pyrimidin-4-amine
CID 161338001
2-N,2-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 115978115
4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 113427586
4-methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1,3,5-triazin-2-amine
CID 104568131
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561376

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine (CID 116798022) is 2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine is COCCOCCOc1nccc(N)n1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine?
The InChIKey is PASQWAZOVSBHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-13-4-5-14-6-7-15-9-11-3-2-8(10)12-9/h2-3H,4-7H2,1H3,(H2,10,11,12).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine?
2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine has a molecular weight of 213.24 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 116798022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).