N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide

C22H20N6O2 — CID 19150190

IUPACN'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide
SMILESNc1c(NNC(=O)c2ccco2)ncnc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N6O2/c23-18-20(24-14-25-21(18)27-28-22(29)17-12-7-13-30-17)26-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,23H2,(H,28,29)(H2,24,25,26,27)
InChIKeyFDODMIFGULWLLW-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.61
Rot. Bonds7

About N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide

N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 19150190) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID19150190
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide
SMILESNc1c(NNC(=O)c2ccco2)ncnc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N6O2/c23-18-20(24-14-25-21(18)27-28-22(29)17-12-7-13-30-17)26-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,23H2,(H,28,29)(H2,24,25,26,27)
InChIKeyFDODMIFGULWLLW-UHFFFAOYSA-N
XLogP3.61
TPSA118.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19150179
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19135482
N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19141013
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19146753
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 19145715
N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19147119
N'-[5-amino-6-(2,3-dimethylanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143204
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19144226
ethyl 2-[[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19152080
N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143794
methyl 1-[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19152070

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide (CID 19150190) is N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide is Nc1c(NNC(=O)c2ccco2)ncnc1NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is FDODMIFGULWLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c23-18-20(24-14-25-21(18)27-28-22(29)17-12-7-13-30-17)26-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,23H2,(H,28,29)(H2,24,25,26,27).
What are the key properties of N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide?
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 400.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 19150190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).