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

C9H13BrN4O2 — CID 136956509

IUPAC2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1nc[nH]c(=O)c1Br)C(=O)N(C)C
InChIInChI=1S/C9H13BrN4O2/c1-5(9(16)14(2)3)13-7-6(10)8(15)12-4-11-7/h4-5H,1-3H3,(H2,11,12,13,15)
InChIKeySZWJPPWLNNWCLT-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.42
Rot. Bonds3

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

2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 136956509) 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,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID136956509
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1nc[nH]c(=O)c1Br)C(=O)N(C)C
InChIInChI=1S/C9H13BrN4O2/c1-5(9(16)14(2)3)13-7-6(10)8(15)12-4-11-7/h4-5H,1-3H3,(H2,11,12,13,15)
InChIKeySZWJPPWLNNWCLT-UHFFFAOYSA-N
XLogP0.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-propan-2-ylacetamide
CID 66309181
2-(5-bromo-6-oxopyrimidin-1-yl)-N-butan-2-ylacetamide
CID 66309785
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butan-2-ylacetamide
CID 66309834
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66310879
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide
CID 113604372
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604379
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 113604404
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604409
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
CID 114583355
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylacetamide
CID 114583382
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114583403

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 136956509) is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide is CC(Nc1nc[nH]c(=O)c1Br)C(=O)N(C)C.
What is the InChIKey of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is SZWJPPWLNNWCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c1-5(9(16)14(2)3)13-7-6(10)8(15)12-4-11-7/h4-5H,1-3H3,(H2,11,12,13,15).
What are the key properties of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 289.13 g/mol, XLogP of 0.42, 3 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,N-dimethylpropanamide is sourced from PubChem (CID 136956509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).