4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine

C8H14N4O — CID 80792890

IUPAC4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine
SMILESCCOCCNc1ccnc(N)n1
InChIInChI=1S/C8H14N4O/c1-2-13-6-5-10-7-3-4-11-8(9)12-7/h3-4H,2,5-6H2,1H3,(H3,9,10,11,12)
InChIKeyKNRUZVAASRFWED-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.51
Rot. Bonds5

About 4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine

4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine (PubChem CID 80792890) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine
PubChem CID80792890
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine
SMILESCCOCCNc1ccnc(N)n1
InChIInChI=1S/C8H14N4O/c1-2-13-6-5-10-7-3-4-11-8(9)12-7/h3-4H,2,5-6H2,1H3,(H3,9,10,11,12)
InChIKeyKNRUZVAASRFWED-UHFFFAOYSA-N
XLogP0.51
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
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 4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine (CID 80792890) is 4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine is CCOCCNc1ccnc(N)n1.
What is the InChIKey of 4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is KNRUZVAASRFWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-13-6-5-10-7-3-4-11-8(9)12-7/h3-4H,2,5-6H2,1H3,(H3,9,10,11,12).
What are the key properties of 4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine?
4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 182.23 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80792890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).