[1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol

C9H13FN4O — CID 80794570

IUPAC[1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESNc1ncc(F)c(N2CCCC2CO)n1
InChIInChI=1S/C9H13FN4O/c10-7-4-12-9(11)13-8(7)14-3-1-2-6(14)5-15/h4,6,15H,1-3,5H2,(H2,11,12,13)
InChIKeyZGUVZVSVFUNIJN-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.16
Rot. Bonds2

About [1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol

[1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 80794570) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is [1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID80794570
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name[1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESNc1ncc(F)c(N2CCCC2CO)n1
InChIInChI=1S/C9H13FN4O/c10-7-4-12-9(11)13-8(7)14-3-1-2-6(14)5-15/h4,6,15H,1-3,5H2,(H2,11,12,13)
InChIKeyZGUVZVSVFUNIJN-UHFFFAOYSA-N
XLogP0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 80794570) is [1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol is Nc1ncc(F)c(N2CCCC2CO)n1.
What is the InChIKey of [1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is ZGUVZVSVFUNIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c10-7-4-12-9(11)13-8(7)14-3-1-2-6(14)5-15/h4,6,15H,1-3,5H2,(H2,11,12,13).
What are the key properties of [1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 212.23 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 80794570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).