(4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide

C11H12N4O2 — CID 51604241

IUPAC(4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide
SMILESNNC(=O)C1=CNC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C11H12N4O2/c12-15-10(16)8-6-13-11(17)14-9(8)7-4-2-1-3-5-7/h1-6,9H,12H2,(H,15,16)(H2,13,14,17)/t9-/m0/s1
InChIKeyLXIGTIWGYGDBGM-VIFPVBQESA-N
MW232.24 g/mol
LogP-0.09
Rot. Bonds2

About (4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide

(4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide (PubChem CID 51604241) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is (4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name(4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide
PubChem CID51604241
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name(4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide
SMILESNNC(=O)C1=CNC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C11H12N4O2/c12-15-10(16)8-6-13-11(17)14-9(8)7-4-2-1-3-5-7/h1-6,9H,12H2,(H,15,16)(H2,13,14,17)/t9-/m0/s1
InChIKeyLXIGTIWGYGDBGM-VIFPVBQESA-N
XLogP-0.09
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.09
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

2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetohydrazide
CID 84571871
3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid
CID 13258434
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
4-[(1S,2R)-2-phenylcyclopropyl]benzohydrazide
CID 910989
4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide
CID 1386818
4-(2-phenylcyclopropyl)benzohydrazide
CID 4594491
4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride
CID 44657658
2-oxo-3,4-dihydro-1H-pyrimidine-5-carbohydrazide
CID 45122712
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 20707073
2-phenyloxolane-3-carbohydrazide
CID 122235516

Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide?
The IUPAC name of (4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide (CID 51604241) is (4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide.
What is the SMILES notation for (4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide?
The canonical SMILES for (4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide is NNC(=O)C1=CNC(=O)N[C@H]1c1ccccc1.
What is the InChIKey of (4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide?
The InChIKey is LXIGTIWGYGDBGM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N4O2/c12-15-10(16)8-6-13-11(17)14-9(8)7-4-2-1-3-5-7/h1-6,9H,12H2,(H,15,16)(H2,13,14,17)/t9-/m0/s1.
What are the key properties of (4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide?
(4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide has a molecular weight of 232.24 g/mol, XLogP of -0.09, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbohydrazide is sourced from PubChem (CID 51604241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).