2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide

C10H14BrN3O3 — CID 66308512

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C10H14BrN3O3/c1-7(5-17-2)13-9(15)4-14-6-12-3-8(11)10(14)16/h3,6-7H,4-5H2,1-2H3,(H,13,15)
InChIKeyGESKNCICIGWBHQ-UHFFFAOYSA-N
MW304.14 g/mol
LogP0.16
Rot. Bonds5

About 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide

2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 66308512) has the molecular formula C10H14BrN3O3 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID66308512
Molecular FormulaC10H14BrN3O3
Molecular Weight304.14 g/mol
Exact Mass303.02
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C10H14BrN3O3/c1-7(5-17-2)13-9(15)4-14-6-12-3-8(11)10(14)16/h3,6-7H,4-5H2,1-2H3,(H,13,15)
InChIKeyGESKNCICIGWBHQ-UHFFFAOYSA-N
XLogP0.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 66308512) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)Cn1cncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is GESKNCICIGWBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3/c1-7(5-17-2)13-9(15)4-14-6-12-3-8(11)10(14)16/h3,6-7H,4-5H2,1-2H3,(H,13,15).
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 304.14 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 66308512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).