2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide

C11H15ClN4O2 — CID 136971087

IUPAC2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide
SMILESNC(=O)CN(c1nc[nH]c(=O)c1Cl)C1CCCC1
InChIInChI=1S/C11H15ClN4O2/c12-9-10(14-6-15-11(9)18)16(5-8(13)17)7-3-1-2-4-7/h6-7H,1-5H2,(H2,13,17)(H,14,15,18)
InChIKeyIOMIVNCMCYLHIY-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.66
Rot. Bonds4

About 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide

2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide (PubChem CID 136971087) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide
PubChem CID136971087
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide
SMILESNC(=O)CN(c1nc[nH]c(=O)c1Cl)C1CCCC1
InChIInChI=1S/C11H15ClN4O2/c12-9-10(14-6-15-11(9)18)16(5-8(13)17)7-3-1-2-4-7/h6-7H,1-5H2,(H2,13,17)(H,14,15,18)
InChIKeyIOMIVNCMCYLHIY-UHFFFAOYSA-N
XLogP0.66
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide (CID 136971087) is 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide is NC(=O)CN(c1nc[nH]c(=O)c1Cl)C1CCCC1.
What is the InChIKey of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide?
The InChIKey is IOMIVNCMCYLHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-9-10(14-6-15-11(9)18)16(5-8(13)17)7-3-1-2-4-7/h6-7H,1-5H2,(H2,13,17)(H,14,15,18).
What are the key properties of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide?
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide has a molecular weight of 270.72 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide is sourced from PubChem (CID 136971087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).