2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide

C7H9N3O5 — CID 171867850

IUPAC2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESNC(=O)C(O)C(O)c1c(O)nc[nH]c1=O
InChIInChI=1S/C7H9N3O5/c8-5(13)4(12)3(11)2-6(14)9-1-10-7(2)15/h1,3-4,11-12H,(H2,8,13)(H2,9,10,14,15)
InChIKeyBIABFQLVBDAGTG-UHFFFAOYSA-N
MW215.17 g/mol
LogP-2.64
Rot. Bonds3

About 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide

2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 171867850) has the molecular formula C7H9N3O5 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID171867850
Molecular FormulaC7H9N3O5
Molecular Weight215.17 g/mol
Exact Mass215.05
IUPAC Name2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESNC(=O)C(O)C(O)c1c(O)nc[nH]c1=O
InChIInChI=1S/C7H9N3O5/c8-5(13)4(12)3(11)2-6(14)9-1-10-7(2)15/h1,3-4,11-12H,(H2,8,13)(H2,9,10,14,15)
InChIKeyBIABFQLVBDAGTG-UHFFFAOYSA-N
XLogP-2.64
TPSA149.53 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-2.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,2-dihydroxy-4-sulfanylbutyl)-4-hydroxy-1H-pyrimidin-6-one
CID 171873778
5-(3-azido-1,2-dihydroxypropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 170825708
2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanamide
CID 171867927
4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-pyridin-3-ylmethyl]-1H-pyrimidin-6-one
CID 4267493
3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide
CID 171869274
(3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide
CID 139038129
2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide
CID 171867982
3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide
CID 171868161
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171869280
5-(1,2-dihydroxy-3-sulfanylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 170820519
3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide
CID 171869160

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 171867850) is 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide is NC(=O)C(O)C(O)c1c(O)nc[nH]c1=O.
What is the InChIKey of 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is BIABFQLVBDAGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5/c8-5(13)4(12)3(11)2-6(14)9-1-10-7(2)15/h1,3-4,11-12H,(H2,8,13)(H2,9,10,14,15).
What are the key properties of 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide?
2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 215.17 g/mol, XLogP of -2.64, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 171867850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).