cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide

C10H12ClFN4O — CID 11345946

IUPACcis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1CCC[C@@H]1Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H12ClFN4O/c11-10-14-4-6(12)9(16-10)15-7-3-1-2-5(7)8(13)17/h4-5,7H,1-3H2,(H2,13,17)(H,14,15,16)/t5-,7+/m1/s1
InChIKeyFJCLVOVKJYHEGN-VDTYLAMSSA-N
MW258.68 g/mol
LogP1.34
Rot. Bonds3

About cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide

cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide (PubChem CID 11345946) has the molecular formula C10H12ClFN4O and a molecular weight of 258.68 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
PubChem CID11345946
Molecular FormulaC10H12ClFN4O
Molecular Weight258.68 g/mol
Exact Mass258.07
IUPAC Namecis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1CCC[C@@H]1Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H12ClFN4O/c11-10-14-4-6(12)9(16-10)15-7-3-1-2-5(7)8(13)17/h4-5,7H,1-3H2,(H2,13,17)(H,14,15,16)/t5-,7+/m1/s1
InChIKeyFJCLVOVKJYHEGN-VDTYLAMSSA-N
XLogP1.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-Tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide
CID 75378105
cis-(1S,2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
CID 11299910
trans-ethyl (1S,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 11529374
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-(2-Chloro-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide
CID 57990282
(1S,2R,3S,4R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 58085996
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
(1R,2S,3R,4S,6S)-6-azido-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 58531842

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide (CID 11345946) is cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide is NC(=O)[C@@H]1CCC[C@@H]1Nc1nc(Cl)ncc1F.
What is the InChIKey of cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The InChIKey is FJCLVOVKJYHEGN-VDTYLAMSSA-N. The full InChI is InChI=1S/C10H12ClFN4O/c11-10-14-4-6(12)9(16-10)15-7-3-1-2-5(7)8(13)17/h4-5,7H,1-3H2,(H2,13,17)(H,14,15,16)/t5-,7+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide has a molecular weight of 258.68 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 11345946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).