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

C7H10FN3O — CID 115749831

IUPAC1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol
SMILESCC(O)CNc1ncc(F)cn1
InChIInChI=1S/C7H10FN3O/c1-5(12)2-9-7-10-3-6(8)4-11-7/h3-5,12H,2H2,1H3,(H,9,10,11)
InChIKeyFSWFSGKDYVSJEA-UHFFFAOYSA-N
MW171.18 g/mol
LogP0.41
Rot. Bonds3

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

1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol (PubChem CID 115749831) has the molecular formula C7H10FN3O and a molecular weight of 171.18 g/mol. Its IUPAC name is 1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol
PubChem CID115749831
Molecular FormulaC7H10FN3O
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC Name1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol
SMILESCC(O)CNc1ncc(F)cn1
InChIInChI=1S/C7H10FN3O/c1-5(12)2-9-7-10-3-6(8)4-11-7/h3-5,12H,2H2,1H3,(H,9,10,11)
InChIKeyFSWFSGKDYVSJEA-UHFFFAOYSA-N
XLogP0.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol (CID 115749831) is 1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol is CC(O)CNc1ncc(F)cn1.
What is the InChIKey of 1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol?
The InChIKey is FSWFSGKDYVSJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-5(12)2-9-7-10-3-6(8)4-11-7/h3-5,12H,2H2,1H3,(H,9,10,11).
What are the key properties of 1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol?
1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol has a molecular weight of 171.18 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 115749831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).