2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine

C10H12Cl2FN3O — CID 168910926

IUPAC2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine
SMILESCN1CCC[C@H]1COc1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C10H12Cl2FN3O/c1-16-4-2-3-6(16)5-17-9-7(13)8(11)14-10(12)15-9/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyZPSRFZTYMCXGPT-LURJTMIESA-N
MW280.13 g/mol
LogP2.40
Rot. Bonds3

About 2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine

2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine (PubChem CID 168910926) has the molecular formula C10H12Cl2FN3O and a molecular weight of 280.13 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine
PubChem CID168910926
Molecular FormulaC10H12Cl2FN3O
Molecular Weight280.13 g/mol
Exact Mass279.03
IUPAC Name2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine
SMILESCN1CCC[C@H]1COc1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C10H12Cl2FN3O/c1-16-4-2-3-6(16)5-17-9-7(13)8(11)14-10(12)15-9/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyZPSRFZTYMCXGPT-LURJTMIESA-N
XLogP2.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine
CID 81035469
4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine
CID 175469197
2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 10263121
2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54367867
4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid
CID 166870743
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
CID 114049950
2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54100857
tert-butyl(trimethyl)-λ4-sulfane;2-chloro-9-cyclopentyl-7-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]purin-8-one;ethane
CID 172612494
2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
CID 54448994
2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
CID 54566968
2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54017583

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine?
The IUPAC name of 2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine (CID 168910926) is 2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine is CN1CCC[C@H]1COc1nc(Cl)nc(Cl)c1F.
What is the InChIKey of 2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine?
The InChIKey is ZPSRFZTYMCXGPT-LURJTMIESA-N. The full InChI is InChI=1S/C10H12Cl2FN3O/c1-16-4-2-3-6(16)5-17-9-7(13)8(11)14-10(12)15-9/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of 2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine?
2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine has a molecular weight of 280.13 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine is sourced from PubChem (CID 168910926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).