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

C10H15BrN4O3 — CID 120830531

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide
SMILESCNC(C)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C10H15BrN4O3/c1-6(12-2)3-13-8(16)5-15-4-7(11)9(17)14-10(15)18/h4,6,12H,3,5H2,1-2H3,(H,13,16)(H,14,17,18)
InChIKeyVYLBMIXDQSBFFC-UHFFFAOYSA-N
MW319.16 g/mol
LogP-0.98
Rot. Bonds5

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

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide (PubChem CID 120830531) has the molecular formula C10H15BrN4O3 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide
PubChem CID120830531
Molecular FormulaC10H15BrN4O3
Molecular Weight319.16 g/mol
Exact Mass318.03
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide
SMILESCNC(C)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C10H15BrN4O3/c1-6(12-2)3-13-8(16)5-15-4-7(11)9(17)14-10(15)18/h4,6,12H,3,5H2,1-2H3,(H,13,16)(H,14,17,18)
InChIKeyVYLBMIXDQSBFFC-UHFFFAOYSA-N
XLogP-0.98
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653959
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-(1-cyclopropylethyl)-N-methylacetamide
CID 71896754
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-cyclopropylethyl]-N-methylacetamide
CID 97086030
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
5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63776539
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 27448932

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide (CID 120830531) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide is CNC(C)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide?
The InChIKey is VYLBMIXDQSBFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O3/c1-6(12-2)3-13-8(16)5-15-4-7(11)9(17)14-10(15)18/h4,6,12H,3,5H2,1-2H3,(H,13,16)(H,14,17,18).
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide has a molecular weight of 319.16 g/mol, XLogP of -0.98, 5 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-[2-(methylamino)propyl]acetamide is sourced from PubChem (CID 120830531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).