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

C11H14BrN3O2 — CID 66309573

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1cncc(Br)c1=O)C1CC1
InChIInChI=1S/C11H14BrN3O2/c1-2-15(8-3-4-8)10(16)6-14-7-13-5-9(12)11(14)17/h5,7-8H,2-4,6H2,1H3
InChIKeyPTORYMSKGCKRDV-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.02
Rot. Bonds4

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

2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide (PubChem CID 66309573) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
PubChem CID66309573
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1cncc(Br)c1=O)C1CC1
InChIInChI=1S/C11H14BrN3O2/c1-2-15(8-3-4-8)10(16)6-14-7-13-5-9(12)11(14)17/h5,7-8H,2-4,6H2,1H3
InChIKeyPTORYMSKGCKRDV-UHFFFAOYSA-N
XLogP1.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.02
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-ethylacetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide (CID 66309573) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)Cn1cncc(Br)c1=O)C1CC1.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is PTORYMSKGCKRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-2-15(8-3-4-8)10(16)6-14-7-13-5-9(12)11(14)17/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 300.16 g/mol, XLogP of 1.02, 4 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-ethylacetamide is sourced from PubChem (CID 66309573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).