1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine

C13H21FN4O — CID 138054600

IUPAC1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCCCOc1ccnc(N2C[C@@H](F)C[C@H]2CNC)n1
InChIInChI=1S/C13H21FN4O/c1-3-6-19-12-4-5-16-13(17-12)18-9-10(14)7-11(18)8-15-2/h4-5,10-11,15H,3,6-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyOPQYCWJSMBIULQ-QWRGUYRKSA-N
MW268.34 g/mol
LogP1.40
Rot. Bonds6

About 1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine

1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 138054600) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID138054600
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCCCOc1ccnc(N2C[C@@H](F)C[C@H]2CNC)n1
InChIInChI=1S/C13H21FN4O/c1-3-6-19-12-4-5-16-13(17-12)18-9-10(14)7-11(18)8-15-2/h4-5,10-11,15H,3,6-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyOPQYCWJSMBIULQ-QWRGUYRKSA-N
XLogP1.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine 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-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine (CID 138054600) is 1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine is CCCOc1ccnc(N2C[C@@H](F)C[C@H]2CNC)n1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is OPQYCWJSMBIULQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-3-6-19-12-4-5-16-13(17-12)18-9-10(14)7-11(18)8-15-2/h4-5,10-11,15H,3,6-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 268.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-(4-propoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 138054600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).