2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide

C10H14BrN3O2 — CID 66309578

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-7(2)13(3)9(15)5-14-6-12-4-8(11)10(14)16/h4,6-7H,5H2,1-3H3
InChIKeyQYBGUNPNKFJVSQ-UHFFFAOYSA-N
MW288.14 g/mol
LogP0.87
Rot. Bonds3

About 2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 66309578) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID66309578
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-7(2)13(3)9(15)5-14-6-12-4-8(11)10(14)16/h4,6-7H,5H2,1-3H3
InChIKeyQYBGUNPNKFJVSQ-UHFFFAOYSA-N
XLogP0.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 66309578) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1cncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is QYBGUNPNKFJVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-7(2)13(3)9(15)5-14-6-12-4-8(11)10(14)16/h4,6-7H,5H2,1-3H3.
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 288.14 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 66309578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).