2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide

C5H8N4O2 — CID 45122712

IUPAC2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide
SMILESNNC(=O)C1=CNC(=O)NC1
InChIInChI=1S/C5H8N4O2/c6-9-4(10)3-1-7-5(11)8-2-3/h1H,2,6H2,(H,9,10)(H2,7,8,11)
InChIKeyAJYHCMLJCXNROF-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.83
Rot. Bonds1

About 2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide

2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide (PubChem CID 45122712) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide
PubChem CID45122712
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide
SMILESNNC(=O)C1=CNC(=O)NC1
InChIInChI=1S/C5H8N4O2/c6-9-4(10)3-1-7-5(11)8-2-3/h1H,2,6H2,(H,9,10)(H2,7,8,11)
InChIKeyAJYHCMLJCXNROF-UHFFFAOYSA-N
XLogP-1.83
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione
CID 429441
3-(5-Methyl-2,4-dioxopyrimidin-1-yl)propanehydrazide
CID 65557760
1,2,3,4-Tetrahydropyrimidine-5-carbohydrazide
CID 145514432
Thioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide
CID 129854859
Thymine-hydrazide
CID 135563820
N-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]formamide
CID 266526
5-[(2-methylhydrazinyl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride
CID 12528135
(2,4-dioxo-1H-pyrimidin-5-yl)methylurea
CID 348855
5-[[amino(methyl)amino]methyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 20675994
2,4-Dihydrotriazine-1,3,5-tricarbohydrazide
CID 68619363
3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 141400473
1-(Hydrazinylmethyl)-5-methylpyrimidine-2,4-dione
CID 142548248

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide?
The IUPAC name of 2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide (CID 45122712) is 2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide is NNC(=O)C1=CNC(=O)NC1.
What is the InChIKey of 2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide?
The InChIKey is AJYHCMLJCXNROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-9-4(10)3-1-7-5(11)8-2-3/h1H,2,6H2,(H,9,10)(H2,7,8,11).
What are the key properties of 2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide?
2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide has a molecular weight of 156.15 g/mol, XLogP of -1.83, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide is sourced from PubChem (CID 45122712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).