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

C9H13BrN4O3 — CID 136957154

IUPAC2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H13BrN4O3/c1-17-3-2-11-6(15)4-12-8-7(10)9(16)14-5-13-8/h5H,2-4H2,1H3,(H,11,15)(H2,12,13,14,16)
InChIKeyKAEWHJSNUOZSBV-UHFFFAOYSA-N
MW305.13 g/mol
LogP-0.29
Rot. Bonds6

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

2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 136957154) has the molecular formula C9H13BrN4O3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID136957154
Molecular FormulaC9H13BrN4O3
Molecular Weight305.13 g/mol
Exact Mass304.02
IUPAC Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H13BrN4O3/c1-17-3-2-11-6(15)4-12-8-7(10)9(16)14-5-13-8/h5H,2-4H2,1H3,(H,11,15)(H2,12,13,14,16)
InChIKeyKAEWHJSNUOZSBV-UHFFFAOYSA-N
XLogP-0.29
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115575489
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 137009322
2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 113405011
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103745777
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956087
4-(4-aminobutylamino)-5-bromo-1H-pyrimidin-6-one
CID 136973374
N-(2-methoxyethyl)-2-(pyrazin-2-ylamino)acetamide
CID 115574127
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide
CID 113231442
5-bromo-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764981
2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide
CID 106539384
N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9453782
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136973720

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide (CID 136957154) is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is KAEWHJSNUOZSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O3/c1-17-3-2-11-6(15)4-12-8-7(10)9(16)14-5-13-8/h5H,2-4H2,1H3,(H,11,15)(H2,12,13,14,16).
What are the key properties of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 305.13 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 136957154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).