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

C7H9BrN4O3 — CID 136849662

IUPAC3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H9BrN4O3/c8-4-6(11-2-12-7(4)15)10-1-3(13)5(9)14/h2-3,13H,1H2,(H2,9,14)(H2,10,11,12,15)
InChIKeyQNRIPLIAWZFWEE-UHFFFAOYSA-N
MW277.08 g/mol
LogP-1.21
Rot. Bonds4

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

3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 136849662) has the molecular formula C7H9BrN4O3 and a molecular weight of 277.08 g/mol. Its IUPAC name is 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
PubChem CID136849662
Molecular FormulaC7H9BrN4O3
Molecular Weight277.08 g/mol
Exact Mass275.99
IUPAC Name3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H9BrN4O3/c8-4-6(11-2-12-7(4)15)10-1-3(13)5(9)14/h2-3,13H,1H2,(H2,9,14)(H2,10,11,12,15)
InChIKeyQNRIPLIAWZFWEE-UHFFFAOYSA-N
XLogP-1.21
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790781
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849661
2-hydroxy-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849666
2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849667
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849668
5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136956026
5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136956077
5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
CID 136956914
5-bromo-4-(2-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136957162
5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 136957728
5-bromo-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one
CID 136979108

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide (CID 136849662) is 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is QNRIPLIAWZFWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4O3/c8-4-6(11-2-12-7(4)15)10-1-3(13)5(9)14/h2-3,13H,1H2,(H2,9,14)(H2,10,11,12,15).
What are the key properties of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide?
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 277.08 g/mol, XLogP of -1.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 136849662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).