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

C11H14BrN3O3 — CID 39599720

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide
SMILESC[C@H]1C[C@@H]1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C11H14BrN3O3/c1-6-2-7(6)3-13-9(16)5-15-4-8(12)10(17)14-11(15)18/h4,6-7H,2-3,5H2,1H3,(H,13,16)(H,14,17,18)/t6-,7+/m0/s1
InChIKeyRHAZONHAUMRLMD-NKWVEPMBSA-N
MW316.16 g/mol
LogP0.07
Rot. Bonds4

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

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide (PubChem CID 39599720) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide
PubChem CID39599720
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide
SMILESC[C@H]1C[C@@H]1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C11H14BrN3O3/c1-6-2-7(6)3-13-9(16)5-15-4-8(12)10(17)14-11(15)18/h4,6-7H,2-3,5H2,1H3,(H,13,16)(H,14,17,18)/t6-,7+/m0/s1
InChIKeyRHAZONHAUMRLMD-NKWVEPMBSA-N
XLogP0.07
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide (CID 39599720) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide is C[C@H]1C[C@@H]1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide?
The InChIKey is RHAZONHAUMRLMD-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c1-6-2-7(6)3-13-9(16)5-15-4-8(12)10(17)14-11(15)18/h4,6-7H,2-3,5H2,1H3,(H,13,16)(H,14,17,18)/t6-,7+/m0/s1.
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide has a molecular weight of 316.16 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide is sourced from PubChem (CID 39599720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).