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

C8H13FN4O — CID 80792630

IUPAC4-N-(2-ethoxyethyl)-5-fluoropyrimidine-2,4-diamine
SMILESCCOCCNc1nc(N)ncc1F
InChIInChI=1S/C8H13FN4O/c1-2-14-4-3-11-7-6(9)5-12-8(10)13-7/h5H,2-4H2,1H3,(H3,10,11,12,13)
InChIKeyIEFMMHUSLZZTJW-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.65
Rot. Bonds5

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

4-N-(2-ethoxyethyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 80792630) has the molecular formula C8H13FN4O and a molecular weight of 200.22 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID80792630
Molecular FormulaC8H13FN4O
Molecular Weight200.22 g/mol
Exact Mass200.11
IUPAC Name4-N-(2-ethoxyethyl)-5-fluoropyrimidine-2,4-diamine
SMILESCCOCCNc1nc(N)ncc1F
InChIInChI=1S/C8H13FN4O/c1-2-14-4-3-11-7-6(9)5-12-8(10)13-7/h5H,2-4H2,1H3,(H3,10,11,12,13)
InChIKeyIEFMMHUSLZZTJW-UHFFFAOYSA-N
XLogP0.65
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.65
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)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-5-fluoropyrimidine-2,4-diamine (CID 80792630) is 4-N-(2-ethoxyethyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-5-fluoropyrimidine-2,4-diamine is CCOCCNc1nc(N)ncc1F.
What is the InChIKey of 4-N-(2-ethoxyethyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is IEFMMHUSLZZTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O/c1-2-14-4-3-11-7-6(9)5-12-8(10)13-7/h5H,2-4H2,1H3,(H3,10,11,12,13).
What are the key properties of 4-N-(2-ethoxyethyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(2-ethoxyethyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 200.22 g/mol, XLogP of 0.65, 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)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80792630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).