N,N-dihydroxypyrimidine-5-carboxamide

C5H5N3O3 — CID 87355702

IUPACN,N-dihydroxypyrimidine-5-carboxamide
SMILESO=C(c1cncnc1)N(O)O
InChIInChI=1S/C5H5N3O3/c9-5(8(10)11)4-1-6-3-7-2-4/h1-3,10-11H
InChIKeyHQWKZUVMFBWSSO-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.30
Rot. Bonds1

About N,N-dihydroxypyrimidine-5-carboxamide

N,N-dihydroxypyrimidine-5-carboxamide (PubChem CID 87355702) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is N,N-dihydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-dihydroxypyrimidine-5-carboxamide
PubChem CID87355702
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC NameN,N-dihydroxypyrimidine-5-carboxamide
SMILESO=C(c1cncnc1)N(O)O
InChIInChI=1S/C5H5N3O3/c9-5(8(10)11)4-1-6-3-7-2-4/h1-3,10-11H
InChIKeyHQWKZUVMFBWSSO-UHFFFAOYSA-N
XLogP-0.30
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

pyrimidine-5-carboxamide;tetrahydrochloride
CID 141352589
sodium;hydride;pyrimidine-5-carboxylic acid
CID 174431799
2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107434520
N-methylpyrimidine-5-carboxamide
CID 23534458
2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107423918
N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104629381
N-(2-bromoethyl)-N-cyclopentylpyrimidine-5-carboxamide
CID 102922719
N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922881
N-(2-chloroethyl)-N-cyclohexylpyrimidine-5-carboxamide
CID 102922692
4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid
CID 102921417
N-(2-bromoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922718
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 107492513

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxypyrimidine-5-carboxamide?
The IUPAC name of N,N-dihydroxypyrimidine-5-carboxamide (CID 87355702) is N,N-dihydroxypyrimidine-5-carboxamide.
What is the SMILES notation for N,N-dihydroxypyrimidine-5-carboxamide?
The canonical SMILES for N,N-dihydroxypyrimidine-5-carboxamide is O=C(c1cncnc1)N(O)O.
What is the InChIKey of N,N-dihydroxypyrimidine-5-carboxamide?
The InChIKey is HQWKZUVMFBWSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c9-5(8(10)11)4-1-6-3-7-2-4/h1-3,10-11H.
What are the key properties of N,N-dihydroxypyrimidine-5-carboxamide?
N,N-dihydroxypyrimidine-5-carboxamide has a molecular weight of 155.11 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 87355702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).