2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide

C11H14ClFN4O — CID 79081173

IUPAC2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide
SMILESNC(=O)CN(c1nc(Cl)ncc1F)C1CCCC1
InChIInChI=1S/C11H14ClFN4O/c12-11-15-5-8(13)10(16-11)17(6-9(14)18)7-3-1-2-4-7/h5,7H,1-4,6H2,(H2,14,18)
InChIKeyBUIVBNHHJFJYMQ-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.50
Rot. Bonds4

About 2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide

2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide (PubChem CID 79081173) has the molecular formula C11H14ClFN4O and a molecular weight of 272.71 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide
PubChem CID79081173
Molecular FormulaC11H14ClFN4O
Molecular Weight272.71 g/mol
Exact Mass272.08
IUPAC Name2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide
SMILESNC(=O)CN(c1nc(Cl)ncc1F)C1CCCC1
InChIInChI=1S/C11H14ClFN4O/c12-11-15-5-8(13)10(16-11)17(6-9(14)18)7-3-1-2-4-7/h5,7H,1-4,6H2,(H2,14,18)
InChIKeyBUIVBNHHJFJYMQ-UHFFFAOYSA-N
XLogP1.50
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide?
The IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide (CID 79081173) is 2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide is NC(=O)CN(c1nc(Cl)ncc1F)C1CCCC1.
What is the InChIKey of 2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide?
The InChIKey is BUIVBNHHJFJYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN4O/c12-11-15-5-8(13)10(16-11)17(6-9(14)18)7-3-1-2-4-7/h5,7H,1-4,6H2,(H2,14,18).
What are the key properties of 2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide?
2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide has a molecular weight of 272.71 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluoropyrimidin-4-yl)-cyclopentylamino]acetamide is sourced from PubChem (CID 79081173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).