2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide

C9H13BrN4O2 — CID 136956513

IUPAC2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H13BrN4O2/c1-3-11-8(15)5(2)14-7-6(10)9(16)13-4-12-7/h4-5H,3H2,1-2H3,(H,11,15)(H2,12,13,14,16)
InChIKeyKXJCGJFPYSIATD-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.47
Rot. Bonds4

About 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide

2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide (PubChem CID 136956513) has the molecular formula C9H13BrN4O2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide
PubChem CID136956513
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H13BrN4O2/c1-3-11-8(15)5(2)14-7-6(10)9(16)13-4-12-7/h4-5H,3H2,1-2H3,(H,11,15)(H2,12,13,14,16)
InChIKeyKXJCGJFPYSIATD-UHFFFAOYSA-N
XLogP0.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide (CID 136956513) is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide?
The InChIKey is KXJCGJFPYSIATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c1-3-11-8(15)5(2)14-7-6(10)9(16)13-4-12-7/h4-5H,3H2,1-2H3,(H,11,15)(H2,12,13,14,16).
What are the key properties of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide?
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide has a molecular weight of 289.13 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 136956513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).