N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide

C19H20N6O — CID 19145715

IUPACN'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
SMILESCC(Nc1ncnc(NNC(=O)c2ccccc2)c1N)c1ccccc1
InChIInChI=1S/C19H20N6O/c1-13(14-8-4-2-5-9-14)23-17-16(20)18(22-12-21-17)24-25-19(26)15-10-6-3-7-11-15/h2-13H,20H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyLCVGWQMGNNAYFF-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.99
Rot. Bonds6

About N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide

N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide (PubChem CID 19145715) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
PubChem CID19145715
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
SMILESCC(Nc1ncnc(NNC(=O)c2ccccc2)c1N)c1ccccc1
InChIInChI=1S/C19H20N6O/c1-13(14-8-4-2-5-9-14)23-17-16(20)18(22-12-21-17)24-25-19(26)15-10-6-3-7-11-15/h2-13H,20H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyLCVGWQMGNNAYFF-UHFFFAOYSA-N
XLogP2.99
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19145725
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983
6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145712
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135674
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19150628
N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19150657
3-chloro-N'-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 22528270
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19135675
6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19135224
6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 82455277
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide (CID 19145715) is N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide is CC(Nc1ncnc(NNC(=O)c2ccccc2)c1N)c1ccccc1.
What is the InChIKey of N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide?
The InChIKey is LCVGWQMGNNAYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13(14-8-4-2-5-9-14)23-17-16(20)18(22-12-21-17)24-25-19(26)15-10-6-3-7-11-15/h2-13H,20H2,1H3,(H,25,26)(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide?
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide has a molecular weight of 348.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 19145715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).