2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

C10H11ClFN3O2 — CID 76623193

IUPAC2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H11ClFN3O2/c11-10-13-4-6(12)8(15-10)14-7-3-1-2-5(7)9(16)17/h4-5,7H,1-3H2,(H,16,17)(H,13,14,15)
InChIKeyUEMRZTDLTNEMLE-UHFFFAOYSA-N
MW259.67 g/mol
LogP1.93
Rot. Bonds3

About 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 76623193) has the molecular formula C10H11ClFN3O2 and a molecular weight of 259.67 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID76623193
Molecular FormulaC10H11ClFN3O2
Molecular Weight259.67 g/mol
Exact Mass259.05
IUPAC Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H11ClFN3O2/c11-10-13-4-6(12)8(15-10)14-7-3-1-2-5(7)9(16)17/h4-5,7H,1-3H2,(H,16,17)(H,13,14,15)
InChIKeyUEMRZTDLTNEMLE-UHFFFAOYSA-N
XLogP1.93
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.67
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
CID 11299910
cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
CID 11345946
trans-ethyl (1S,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 11529374
N4-(4-carboxycyclohexyl)-2-chloro-5-fluoro-4-pyrimidineamine
CID 22061179
ethyl (2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 57602697
(1S,2R)-2-(2-chloro-5-fluoro-pyrimidin-4-ylamino)cyclopentanecarboxylic acid
CID 57602700
(2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 57602704
(2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
CID 57602705
1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone
CID 58320386
1-[(1S,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone
CID 58320411
trans-ethyl (1R,2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 58601038
(1S,2R)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
CID 58809910

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 76623193) is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UEMRZTDLTNEMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O2/c11-10-13-4-6(12)8(15-10)14-7-3-1-2-5(7)9(16)17/h4-5,7H,1-3H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 259.67 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 76623193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).