N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide

C9H13BrN4O3 — CID 120506605

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
SMILESC[C@@H](CN)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C9H13BrN4O3/c1-5(2-11)12-7(15)4-14-3-6(10)8(16)13-9(14)17/h3,5H,2,4,11H2,1H3,(H,12,15)(H,13,16,17)/t5-/m0/s1
InChIKeyFOZKVDSQBDIQJL-YFKPBYRVSA-N
MW305.13 g/mol
LogP-1.24
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide

N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 120506605) has the molecular formula C9H13BrN4O3 and a molecular weight of 305.13 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID120506605
Molecular FormulaC9H13BrN4O3
Molecular Weight305.13 g/mol
Exact Mass304.02
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
SMILESC[C@@H](CN)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C9H13BrN4O3/c1-5(2-11)12-7(15)4-14-3-6(10)8(16)13-9(14)17/h3,5H,2,4,11H2,1H3,(H,12,15)(H,13,16,17)/t5-/m0/s1
InChIKeyFOZKVDSQBDIQJL-YFKPBYRVSA-N
XLogP-1.24
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 119943030
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide
CID 120830531
N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
CID 119522456
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653959
N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 120507247
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 17406789
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
CID 86878943
N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
CID 119601957
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]acetamide
CID 86941016
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 27449104
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 27448932
5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione
CID 63776724

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide (CID 120506605) is N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide is C[C@@H](CN)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is FOZKVDSQBDIQJL-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H13BrN4O3/c1-5(2-11)12-7(15)4-14-3-6(10)8(16)13-9(14)17/h3,5H,2,4,11H2,1H3,(H,12,15)(H,13,16,17)/t5-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide?
N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 305.13 g/mol, XLogP of -1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 120506605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).