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

C10H15BrN4O2 — CID 136713576

IUPAC2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O2/c1-4-15(3)10(17)6(2)14-8-7(11)9(16)13-5-12-8/h5-6H,4H2,1-3H3,(H2,12,13,14,16)
InChIKeyFGOFGRXOGHQTTO-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.81
Rot. Bonds4

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

2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 136713576) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID136713576
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O2/c1-4-15(3)10(17)6(2)14-8-7(11)9(16)13-5-12-8/h5-6H,4H2,1-3H3,(H2,12,13,14,16)
InChIKeyFGOFGRXOGHQTTO-UHFFFAOYSA-N
XLogP0.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 66308078
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 66308122
2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66308278
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 66308304
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 66308342
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 66308557
2-(5-bromo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 66308710
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 66309181
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
CID 66309197
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66309397
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide
CID 66309402
2-(5-bromo-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 66309562

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide (CID 136713576) is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is FGOFGRXOGHQTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-4-15(3)10(17)6(2)14-8-7(11)9(16)13-5-12-8/h5-6H,4H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 303.16 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 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-ethyl-N-methylpropanamide is sourced from PubChem (CID 136713576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).