4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

C10H17FN4O — CID 80792881

IUPAC4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCCOCC)n1
InChIInChI=1S/C10H17FN4O/c1-3-12-10-14-7-8(11)9(15-10)13-5-6-16-4-2/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyAJDSFRYUAKNCNK-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.50
Rot. Bonds7

About 4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 80792881) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
PubChem CID80792881
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCCOCC)n1
InChIInChI=1S/C10H17FN4O/c1-3-12-10-14-7-8(11)9(15-10)13-5-6-16-4-2/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyAJDSFRYUAKNCNK-UHFFFAOYSA-N
XLogP1.50
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.50
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)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (CID 80792881) is 4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is CCNc1ncc(F)c(NCCOCC)n1.
What is the InChIKey of 4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is AJDSFRYUAKNCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-3-12-10-14-7-8(11)9(15-10)13-5-6-16-4-2/h7H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 228.27 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80792881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).