2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide

C10H12BrN3O2 — CID 66309788

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cncc(Br)c1=O)C1CC1
InChIInChI=1S/C10H12BrN3O2/c1-13(7-2-3-7)9(15)5-14-6-12-4-8(11)10(14)16/h4,6-7H,2-3,5H2,1H3
InChIKeyNRSUHAZKMZGXDK-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.63
Rot. Bonds3

About 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide

2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide (PubChem CID 66309788) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
PubChem CID66309788
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cncc(Br)c1=O)C1CC1
InChIInChI=1S/C10H12BrN3O2/c1-13(7-2-3-7)9(15)5-14-6-12-4-8(11)10(14)16/h4,6-7H,2-3,5H2,1H3
InChIKeyNRSUHAZKMZGXDK-UHFFFAOYSA-N
XLogP0.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.63
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-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide (CID 66309788) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide is CN(C(=O)Cn1cncc(Br)c1=O)C1CC1.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is NRSUHAZKMZGXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-13(7-2-3-7)9(15)5-14-6-12-4-8(11)10(14)16/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 286.13 g/mol, XLogP of 0.63, 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-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 66309788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).