3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol

C9H15FN4O — CID 80771884

IUPAC3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol
SMILESCCNc1ncc(F)c(NCCCO)n1
InChIInChI=1S/C9H15FN4O/c1-2-11-9-13-6-7(10)8(14-9)12-4-3-5-15/h6,15H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyOAYYNURUUXOWQD-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.84
Rot. Bonds6

About 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol

3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol (PubChem CID 80771884) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol
PubChem CID80771884
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol
SMILESCCNc1ncc(F)c(NCCCO)n1
InChIInChI=1S/C9H15FN4O/c1-2-11-9-13-6-7(10)8(14-9)12-4-3-5-15/h6,15H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyOAYYNURUUXOWQD-UHFFFAOYSA-N
XLogP0.84
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.84
H-Bond Donors ≤ 53
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 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol (CID 80771884) is 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol is CCNc1ncc(F)c(NCCCO)n1.
What is the InChIKey of 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is OAYYNURUUXOWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-2-11-9-13-6-7(10)8(14-9)12-4-3-5-15/h6,15H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol?
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 214.24 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 80771884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).