2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide

C11H17BrN4O3 — CID 120653959

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
SMILESCCN[C@H](C)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C11H17BrN4O3/c1-3-13-7(2)4-14-9(17)6-16-5-8(12)10(18)15-11(16)19/h5,7,13H,3-4,6H2,1-2H3,(H,14,17)(H,15,18,19)/t7-/m1/s1
InChIKeyAENSVOKSXKQWOB-SSDOTTSWSA-N
MW333.19 g/mol
LogP-0.59
Rot. Bonds6

About 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide (PubChem CID 120653959) has the molecular formula C11H17BrN4O3 and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
PubChem CID120653959
Molecular FormulaC11H17BrN4O3
Molecular Weight333.19 g/mol
Exact Mass332.05
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
SMILESCCN[C@H](C)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C11H17BrN4O3/c1-3-13-7(2)4-14-9(17)6-16-5-8(12)10(18)15-11(16)19/h5,7,13H,3-4,6H2,1-2H3,(H,14,17)(H,15,18,19)/t7-/m1/s1
InChIKeyAENSVOKSXKQWOB-SSDOTTSWSA-N
XLogP-0.59
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide
CID 120830531
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
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-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride
CID 119619861
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-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide
CID 99789325
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 125167255
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120655070
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 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide (CID 120653959) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide is CCN[C@H](C)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide?
The InChIKey is AENSVOKSXKQWOB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17BrN4O3/c1-3-13-7(2)4-14-9(17)6-16-5-8(12)10(18)15-11(16)19/h5,7,13H,3-4,6H2,1-2H3,(H,14,17)(H,15,18,19)/t7-/m1/s1.
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide has a molecular weight of 333.19 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide is sourced from PubChem (CID 120653959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).