1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea

C16H19FN6O — CID 128974785

IUPAC1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea
SMILESCN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)Nc1ccccn1
InChIInChI=1S/C16H19FN6O/c1-22(16(24)21-14-4-2-3-6-19-14)10-13-8-12(17)9-23(13)15-5-7-18-11-20-15/h2-7,11-13H,8-10H2,1H3,(H,19,21,24)/t12-,13-/m0/s1
InChIKeyRICQOSRUPVSRJT-STQMWFEESA-N
MW330.37 g/mol
LogP1.95
Rot. Bonds4

About 1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea

1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea (PubChem CID 128974785) has the molecular formula C16H19FN6O and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea
PubChem CID128974785
Molecular FormulaC16H19FN6O
Molecular Weight330.37 g/mol
Exact Mass330.16
IUPAC Name1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea
SMILESCN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)Nc1ccccn1
InChIInChI=1S/C16H19FN6O/c1-22(16(24)21-14-4-2-3-6-19-14)10-13-8-12(17)9-23(13)15-5-7-18-11-20-15/h2-7,11-13H,8-10H2,1H3,(H,19,21,24)/t12-,13-/m0/s1
InChIKeyRICQOSRUPVSRJT-STQMWFEESA-N
XLogP1.95
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea with MolForge

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Related Compounds

1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-(3-methylbutan-2-yl)urea
CID 128987765
cis-(1S,3R)-3-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066852
N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
CID 128987798
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylacetamide
CID 129474159
N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 128994705
5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine
CID 128974852
1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine
CID 124710405
3-ethyl-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 128975037
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 128991265
1-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-4-ylurea
CID 128994381
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 128991738
1-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-3-(6-methyl-2-pyridinyl)urea
CID 128991024

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea?
The IUPAC name of 1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea (CID 128974785) is 1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea?
The canonical SMILES for 1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea is CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)Nc1ccccn1.
What is the InChIKey of 1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea?
The InChIKey is RICQOSRUPVSRJT-STQMWFEESA-N. The full InChI is InChI=1S/C16H19FN6O/c1-22(16(24)21-14-4-2-3-6-19-14)10-13-8-12(17)9-23(13)15-5-7-18-11-20-15/h2-7,11-13H,8-10H2,1H3,(H,19,21,24)/t12-,13-/m0/s1.
What are the key properties of 1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea?
1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea has a molecular weight of 330.37 g/mol, XLogP of 1.95, 4 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-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea is sourced from PubChem (CID 128974785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).