3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

C10H15BrN4O2 — CID 136843240

IUPAC3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O2/c1-10(2,9(17)12-3)4-13-7-6(11)8(16)15-5-14-7/h5H,4H2,1-3H3,(H,12,17)(H2,13,14,15,16)
InChIKeyGVLZHOYWAIHUIB-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.72
Rot. Bonds4

About 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 136843240) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID136843240
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O2/c1-10(2,9(17)12-3)4-13-7-6(11)8(16)15-5-14-7/h5H,4H2,1-3H3,(H,12,17)(H2,13,14,15,16)
InChIKeyGVLZHOYWAIHUIB-UHFFFAOYSA-N
XLogP0.72
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671882
5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752196
5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768847
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794219
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843229
2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136843230
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843231
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843238
5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852218
4-[(4-amino-2,2-dimethylbutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136857340
4-[[2-(aminomethyl)-2-ethylbutyl]amino]-5-bromo-1H-pyrimidin-6-one
CID 136864221
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 136876795

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 136843240) is 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is GVLZHOYWAIHUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-10(2,9(17)12-3)4-13-7-6(11)8(16)15-5-14-7/h5H,4H2,1-3H3,(H,12,17)(H2,13,14,15,16).
What are the key properties of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 303.16 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 136843240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).