N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide

C10H15BrN4O3 — CID 119522456

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(C)(CN)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C10H15BrN4O3/c1-10(2,5-12)14-7(16)4-15-3-6(11)8(17)13-9(15)18/h3H,4-5,12H2,1-2H3,(H,14,16)(H,13,17,18)
InChIKeyGZSZDQWDHVIWAK-UHFFFAOYSA-N
MW319.16 g/mol
LogP-0.85
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide

N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 119522456) has the molecular formula C10H15BrN4O3 and a molecular weight of 319.16 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID119522456
Molecular FormulaC10H15BrN4O3
Molecular Weight319.16 g/mol
Exact Mass318.03
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(C)(CN)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C10H15BrN4O3/c1-10(2,5-12)14-7(16)4-15-3-6(11)8(17)13-9(15)18/h3H,4-5,12H2,1-2H3,(H,14,16)(H,13,17,18)
InChIKeyGZSZDQWDHVIWAK-UHFFFAOYSA-N
XLogP-0.85
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
CID 120506605
(2S)-2-[[2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 119943030
3-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79630896
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide
CID 120830531
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-(5-methyl-2-pyridinyl)acetamide
CID 17406789
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653959
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide
CID 99789325
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 27448932
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 27449104
5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione
CID 63776724
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 27449421

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide (CID 119522456) is N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide is CC(C)(CN)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is GZSZDQWDHVIWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O3/c1-10(2,5-12)14-7(16)4-15-3-6(11)8(17)13-9(15)18/h3H,4-5,12H2,1-2H3,(H,14,16)(H,13,17,18).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide?
N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 319.16 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 119522456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).