1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone

C11H13ClFN3O — CID 58320386

IUPAC1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone
SMILESCC(=O)C1CCC[C@H]1Nc1nc(Cl)ncc1F
InChIInChI=1S/C11H13ClFN3O/c1-6(17)7-3-2-4-9(7)15-10-8(13)5-14-11(12)16-10/h5,7,9H,2-4H2,1H3,(H,14,15,16)/t7?,9-/m1/s1
InChIKeySBYCJVSYLGMTID-NHSZFOGYSA-N
MW257.70 g/mol
LogP2.44
Rot. Bonds3

About 1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone

1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone (PubChem CID 58320386) has the molecular formula C11H13ClFN3O and a molecular weight of 257.70 g/mol. Its IUPAC name is 1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone
PubChem CID58320386
Molecular FormulaC11H13ClFN3O
Molecular Weight257.70 g/mol
Exact Mass257.07
IUPAC Name1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone
SMILESCC(=O)C1CCC[C@H]1Nc1nc(Cl)ncc1F
InChIInChI=1S/C11H13ClFN3O/c1-6(17)7-3-2-4-9(7)15-10-8(13)5-14-11(12)16-10/h5,7,9H,2-4H2,1H3,(H,14,15,16)/t7?,9-/m1/s1
InChIKeySBYCJVSYLGMTID-NHSZFOGYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone?
The IUPAC name of 1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone (CID 58320386) is 1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone?
The canonical SMILES for 1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone is CC(=O)C1CCC[C@H]1Nc1nc(Cl)ncc1F.
What is the InChIKey of 1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone?
The InChIKey is SBYCJVSYLGMTID-NHSZFOGYSA-N. The full InChI is InChI=1S/C11H13ClFN3O/c1-6(17)7-3-2-4-9(7)15-10-8(13)5-14-11(12)16-10/h5,7,9H,2-4H2,1H3,(H,14,15,16)/t7?,9-/m1/s1.
What are the key properties of 1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone?
1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone has a molecular weight of 257.70 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone is sourced from PubChem (CID 58320386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).