[(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol

C9H12ClFN4O — CID 128979550

IUPAC[(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol
SMILESNc1ncnc(N2C[C@@H](F)C[C@H]2CO)c1Cl
InChIInChI=1S/C9H12ClFN4O/c10-7-8(12)13-4-14-9(7)15-2-5(11)1-6(15)3-16/h4-6,16H,1-3H2,(H2,12,13,14)/t5-,6-/m0/s1
InChIKeyDTDHSDPZXNOEKH-WDSKDSINSA-N
MW246.67 g/mol
LogP0.62
Rot. Bonds2

About [(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol

[(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128979550) has the molecular formula C9H12ClFN4O and a molecular weight of 246.67 g/mol. Its IUPAC name is [(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128979550
Molecular FormulaC9H12ClFN4O
Molecular Weight246.67 g/mol
Exact Mass246.07
IUPAC Name[(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol
SMILESNc1ncnc(N2C[C@@H](F)C[C@H]2CO)c1Cl
InChIInChI=1S/C9H12ClFN4O/c10-7-8(12)13-4-14-9(7)15-2-5(11)1-6(15)3-16/h4-6,16H,1-3H2,(H2,12,13,14)/t5-,6-/m0/s1
InChIKeyDTDHSDPZXNOEKH-WDSKDSINSA-N
XLogP0.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-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

Related Compounds

(1-(2-Amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl)methanol
CID 76877854
[1-(2-Chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol
CID 118246476
[(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 141304008
4-Chloro-5-amino-6-(2-hydroxymethylpyrrolidino)pyrimidine
CID 63022043
(1-(2-Chloro-5-fluoro-pyrimidin-4-YL)-pyrrolidin-2-YL)-methanol
CID 79081347
[1-[5-Fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80793920
[1-[5-Fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80793921
[1-[2-(Ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80794351
[1-(2-Amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794570
[1-(5-Fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80898719
[1-(2-Chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784110
[1-(2-Amino-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789979

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol (CID 128979550) is [(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol is Nc1ncnc(N2C[C@@H](F)C[C@H]2CO)c1Cl.
What is the InChIKey of [(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is DTDHSDPZXNOEKH-WDSKDSINSA-N. The full InChI is InChI=1S/C9H12ClFN4O/c10-7-8(12)13-4-14-9(7)15-2-5(11)1-6(15)3-16/h4-6,16H,1-3H2,(H2,12,13,14)/t5-,6-/m0/s1.
What are the key properties of [(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 246.67 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128979550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).