5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol

C9H14FN3O — CID 106137262

IUPAC5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1cc(F)ncn1
InChIInChI=1S/C9H14FN3O/c1-7(14)3-2-4-11-9-5-8(10)12-6-13-9/h5-7,14H,2-4H2,1H3,(H,11,12,13)
InChIKeyOEIBCXZMUPZURO-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.19
Rot. Bonds5

About 5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol

5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 106137262) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol
PubChem CID106137262
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1cc(F)ncn1
InChIInChI=1S/C9H14FN3O/c1-7(14)3-2-4-11-9-5-8(10)12-6-13-9/h5-7,14H,2-4H2,1H3,(H,11,12,13)
InChIKeyOEIBCXZMUPZURO-UHFFFAOYSA-N
XLogP1.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol (CID 106137262) is 5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol is CC(O)CCCNc1cc(F)ncn1.
What is the InChIKey of 5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is OEIBCXZMUPZURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-7(14)3-2-4-11-9-5-8(10)12-6-13-9/h5-7,14H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol?
5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 199.23 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoropyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 106137262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).