2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide

C10H14BrN3O2 — CID 66309181

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCc1ncn(CC(=O)NC(C)C)c(=O)c1Br
InChIInChI=1S/C10H14BrN3O2/c1-6(2)13-8(15)4-14-5-12-7(3)9(11)10(14)16/h5-6H,4H2,1-3H3,(H,13,15)
InChIKeyAVJNFJDGZGYGSW-UHFFFAOYSA-N
MW288.15 g/mol
LogP0.84
Rot. Bonds3

About 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 66309181) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
PubChem CID66309181
Molecular FormulaC10H14BrN3O2
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCc1ncn(CC(=O)NC(C)C)c(=O)c1Br
InChIInChI=1S/C10H14BrN3O2/c1-6(2)13-8(15)4-14-5-12-7(3)9(11)10(14)16/h5-6H,4H2,1-3H3,(H,13,15)
InChIKeyAVJNFJDGZGYGSW-UHFFFAOYSA-N
XLogP0.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (CID 66309181) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide is Cc1ncn(CC(=O)NC(C)C)c(=O)c1Br.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is AVJNFJDGZGYGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-6(2)13-8(15)4-14-5-12-7(3)9(11)10(14)16/h5-6H,4H2,1-3H3,(H,13,15).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 288.15 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 66309181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).