1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine

C10H15FN4 — CID 124710405

IUPAC1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@@H](F)CN1c1ccncn1
InChIInChI=1S/C10H15FN4/c1-12-5-9-4-8(11)6-15(9)10-2-3-13-7-14-10/h2-3,7-9,12H,4-6H2,1H3/t8-,9+/m1/s1
InChIKeyVSEDSCZDHJPPRI-BDAKNGLRSA-N
MW210.26 g/mol
LogP0.61
Rot. Bonds3

About 1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine

1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 124710405) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine
PubChem CID124710405
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@@H](F)CN1c1ccncn1
InChIInChI=1S/C10H15FN4/c1-12-5-9-4-8(11)6-15(9)10-2-3-13-7-14-10/h2-3,7-9,12H,4-6H2,1H3/t8-,9+/m1/s1
InChIKeyVSEDSCZDHJPPRI-BDAKNGLRSA-N
XLogP0.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine (CID 124710405) is 1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine is CNC[C@@H]1C[C@@H](F)CN1c1ccncn1.
What is the InChIKey of 1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is VSEDSCZDHJPPRI-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H15FN4/c1-12-5-9-4-8(11)6-15(9)10-2-3-13-7-14-10/h2-3,7-9,12H,4-6H2,1H3/t8-,9+/m1/s1.
What are the key properties of 1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine?
1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 210.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 124710405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).