4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

C10H19N5O — CID 64829141

IUPAC4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCCOCCN)n1
InChIInChI=1S/C10H19N5O/c1-15(2)10-13-5-3-9(14-10)12-6-8-16-7-4-11/h3,5H,4,6-8,11H2,1-2H3,(H,12,13,14)
InChIKeyFTROGTKMJQQHDL-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.07
Rot. Bonds7

About 4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 64829141) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID64829141
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCCOCCN)n1
InChIInChI=1S/C10H19N5O/c1-15(2)10-13-5-3-9(14-10)12-6-8-16-7-4-11/h3,5H,4,6-8,11H2,1-2H3,(H,12,13,14)
InChIKeyFTROGTKMJQQHDL-UHFFFAOYSA-N
XLogP-0.07
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 64829141) is 4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nccc(NCCOCCN)n1.
What is the InChIKey of 4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is FTROGTKMJQQHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-15(2)10-13-5-3-9(14-10)12-6-8-16-7-4-11/h3,5H,4,6-8,11H2,1-2H3,(H,12,13,14).
What are the key properties of 4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 225.30 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 64829141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).