N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

C20H20Cl2N8O — CID 19151703

IUPACN'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H20Cl2N8O/c21-13-4-5-14(15(22)11-13)20(31)28-27-18-17(23)19(26-12-25-18)30-9-7-29(8-10-30)16-3-1-2-6-24-16/h1-6,11-12H,7-10,23H2,(H,28,31)(H,25,26,27)
InChIKeyLVHFNSIYGDDADY-UHFFFAOYSA-N
MW459.34 g/mol
LogP2.84
Rot. Bonds5

About N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (PubChem CID 19151703) has the molecular formula C20H20Cl2N8O and a molecular weight of 459.34 g/mol. Its IUPAC name is N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
PubChem CID19151703
Molecular FormulaC20H20Cl2N8O
Molecular Weight459.34 g/mol
Exact Mass458.11
IUPAC NameN'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H20Cl2N8O/c21-13-4-5-14(15(22)11-13)20(31)28-27-18-17(23)19(26-12-25-18)30-9-7-29(8-10-30)16-3-1-2-6-24-16/h1-6,11-12H,7-10,23H2,(H,28,31)(H,25,26,27)
InChIKeyLVHFNSIYGDDADY-UHFFFAOYSA-N
XLogP2.84
TPSA112.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide
CID 19137533
N'-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139147
N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151677
N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19138262
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135671
4-N-(5-chloro-2-methoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22546098
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135477
N'-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19138617
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22539627
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22545648
N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19137364
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151724

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (CID 19151703) is N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N1CCN(c2ccccn2)CC1.
What is the InChIKey of N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The InChIKey is LVHFNSIYGDDADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N8O/c21-13-4-5-14(15(22)11-13)20(31)28-27-18-17(23)19(26-12-25-18)30-9-7-29(8-10-30)16-3-1-2-6-24-16/h1-6,11-12H,7-10,23H2,(H,28,31)(H,25,26,27).
What are the key properties of N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide has a molecular weight of 459.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 19151703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).