2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide

C11H15IN4O — CID 66318147

IUPAC2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide
SMILESNC(=O)CN(c1ncncc1I)C1CCCC1
InChIInChI=1S/C11H15IN4O/c12-9-5-14-7-15-11(9)16(6-10(13)17)8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H2,13,17)
InChIKeyPKWMBMAOIZJJEP-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.32
Rot. Bonds4

About 2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide

2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide (PubChem CID 66318147) has the molecular formula C11H15IN4O and a molecular weight of 346.17 g/mol. Its IUPAC name is 2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide
PubChem CID66318147
Molecular FormulaC11H15IN4O
Molecular Weight346.17 g/mol
Exact Mass346.03
IUPAC Name2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide
SMILESNC(=O)CN(c1ncncc1I)C1CCCC1
InChIInChI=1S/C11H15IN4O/c12-9-5-14-7-15-11(9)16(6-10(13)17)8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H2,13,17)
InChIKeyPKWMBMAOIZJJEP-UHFFFAOYSA-N
XLogP1.32
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide (CID 66318147) is 2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide is NC(=O)CN(c1ncncc1I)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide?
The InChIKey is PKWMBMAOIZJJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4O/c12-9-5-14-7-15-11(9)16(6-10(13)17)8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H2,13,17).
What are the key properties of 2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide?
2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide has a molecular weight of 346.17 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 66318147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).