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

C11H15BrN4O2 — CID 136971088

IUPAC2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide
SMILESNC(=O)CN(c1nc[nH]c(=O)c1Br)C1CCCC1
InChIInChI=1S/C11H15BrN4O2/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)
InChIKeyRBOXOGOUHLJRNL-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.77
Rot. Bonds4

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

2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide (PubChem CID 136971088) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide
PubChem CID136971088
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide
SMILESNC(=O)CN(c1nc[nH]c(=O)c1Br)C1CCCC1
InChIInChI=1S/C11H15BrN4O2/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)
InChIKeyRBOXOGOUHLJRNL-UHFFFAOYSA-N
XLogP0.77
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-aminopropyl(cycloheptyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972588
5-bromo-4-[cyclopropyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136970733
4-[(4-aminocyclohexyl)-ethylamino]-5-bromo-1H-pyrimidin-6-one
CID 136978631
4-[(4-aminophenyl)methyl-cyclopropylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979258
5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136979613
5-amino-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827311
2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide
CID 104778295
4-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136977712
2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide
CID 66318147
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetate
CID 137007634
4-[bis(2-aminoethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 137008125
2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-cyclopentylamino]acetamide
CID 80629884

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide?
The IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide (CID 136971088) is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide is NC(=O)CN(c1nc[nH]c(=O)c1Br)C1CCCC1.
What is the InChIKey of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide?
The InChIKey is RBOXOGOUHLJRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/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-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide?
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide has a molecular weight of 315.17 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetamide is sourced from PubChem (CID 136971088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).