N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide

C19H19ClN6O — CID 19152277

IUPACN'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide
SMILESNc1c(NCc2ccccc2Cl)ncnc1NNC(=O)Cc1ccccc1
InChIInChI=1S/C19H19ClN6O/c20-15-9-5-4-8-14(15)11-22-18-17(21)19(24-12-23-18)26-25-16(27)10-13-6-2-1-3-7-13/h1-9,12H,10-11,21H2,(H,25,27)(H2,22,23,24,26)
InChIKeyCNELSWANNAOTDW-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.01
Rot. Bonds7

About N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide

N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide (PubChem CID 19152277) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide
PubChem CID19152277
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC NameN'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide
SMILESNc1c(NCc2ccccc2Cl)ncnc1NNC(=O)Cc1ccccc1
InChIInChI=1S/C19H19ClN6O/c20-15-9-5-4-8-14(15)11-22-18-17(21)19(24-12-23-18)26-25-16(27)10-13-6-2-1-3-7-13/h1-9,12H,10-11,21H2,(H,25,27)(H2,22,23,24,26)
InChIKeyCNELSWANNAOTDW-UHFFFAOYSA-N
XLogP3.01
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.01
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-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide 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'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19137179
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19146756
N'-[5-amino-6-(benzylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19136254
N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19147712
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
CID 19135528
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169
4-N-[(2-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145647
N'-[6-[(2-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22537139
6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146799
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19137045
N'-[6-[(2-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536805

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide (CID 19152277) is N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide is Nc1c(NCc2ccccc2Cl)ncnc1NNC(=O)Cc1ccccc1.
What is the InChIKey of N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide?
The InChIKey is CNELSWANNAOTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c20-15-9-5-4-8-14(15)11-22-18-17(21)19(24-12-23-18)26-25-16(27)10-13-6-2-1-3-7-13/h1-9,12H,10-11,21H2,(H,25,27)(H2,22,23,24,26).
What are the key properties of N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide?
N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide has a molecular weight of 382.86 g/mol, XLogP of 3.01, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide is sourced from PubChem (CID 19152277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).