[1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

C10H15FN4O — CID 102789979

IUPAC[1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nc(N)ncc2F)C1CO
InChIInChI=1S/C10H15FN4O/c1-6-2-3-15(8(6)5-16)9-7(11)4-13-10(12)14-9/h4,6,8,16H,2-3,5H2,1H3,(H2,12,13,14)
InChIKeyKBOMMOPIBOQVPW-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.41
Rot. Bonds2

About [1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789979) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is [1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789979
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name[1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nc(N)ncc2F)C1CO
InChIInChI=1S/C10H15FN4O/c1-6-2-3-15(8(6)5-16)9-7(11)4-13-10(12)14-9/h4,6,8,16H,2-3,5H2,1H3,(H2,12,13,14)
InChIKeyKBOMMOPIBOQVPW-UHFFFAOYSA-N
XLogP0.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102789979) is [1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2nc(N)ncc2F)C1CO.
What is the InChIKey of [1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is KBOMMOPIBOQVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-6-2-3-15(8(6)5-16)9-7(11)4-13-10(12)14-9/h4,6,8,16H,2-3,5H2,1H3,(H2,12,13,14).
What are the key properties of [1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(2-amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 226.25 g/mol, XLogP of 0.41, 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)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).