N-hydroxy-1,2-dihydropyrimidine-2-carboxamide

C5H7N3O2 — CID 170984098

IUPACN-hydroxy-1,2-dihydropyrimidine-2-carboxamide
SMILESO=C(NO)C1N=CC=CN1
InChIInChI=1S/C5H7N3O2/c9-5(8-10)4-6-2-1-3-7-4/h1-4,6,10H,(H,8,9)
InChIKeyBDGZDGWEICSWEW-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.99
Rot. Bonds1

About N-hydroxy-1,2-dihydropyrimidine-2-carboxamide

N-hydroxy-1,2-dihydropyrimidine-2-carboxamide (PubChem CID 170984098) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is N-hydroxy-1,2-dihydropyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1,2-dihydropyrimidine-2-carboxamide
PubChem CID170984098
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC NameN-hydroxy-1,2-dihydropyrimidine-2-carboxamide
SMILESO=C(NO)C1N=CC=CN1
InChIInChI=1S/C5H7N3O2/c9-5(8-10)4-6-2-1-3-7-4/h1-4,6,10H,(H,8,9)
InChIKeyBDGZDGWEICSWEW-UHFFFAOYSA-N
XLogP-0.99
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2H-pyrimidinecarboxamide
CID 22318737
2-amino-1H-pyrimidine-2-carboxamide
CID 67854524
2H-pyrimidinecarboxamide chloride
CID 86742628
N-methyl-1,2-dihydropyrimidine-2-carboxamide
CID 150983515
1,2-Dihydropyrimidine-2-carboxamide;hydrochloride
CID 172694013

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1,2-dihydropyrimidine-2-carboxamide?
The IUPAC name of N-hydroxy-1,2-dihydropyrimidine-2-carboxamide (CID 170984098) is N-hydroxy-1,2-dihydropyrimidine-2-carboxamide.
What is the SMILES notation for N-hydroxy-1,2-dihydropyrimidine-2-carboxamide?
The canonical SMILES for N-hydroxy-1,2-dihydropyrimidine-2-carboxamide is O=C(NO)C1N=CC=CN1.
What is the InChIKey of N-hydroxy-1,2-dihydropyrimidine-2-carboxamide?
The InChIKey is BDGZDGWEICSWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c9-5(8-10)4-6-2-1-3-7-4/h1-4,6,10H,(H,8,9).
What are the key properties of N-hydroxy-1,2-dihydropyrimidine-2-carboxamide?
N-hydroxy-1,2-dihydropyrimidine-2-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1,2-dihydropyrimidine-2-carboxamide is sourced from PubChem (CID 170984098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).