N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide

C15H20ClN7O — CID 19150984

IUPACN'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide
SMILESCC(C)(C)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H20ClN7O/c1-15(2,3)23-21-13-11(17)12(18-8-19-13)20-22-14(24)9-4-6-10(16)7-5-9/h4-8,23H,17H2,1-3H3,(H,22,24)(H2,18,19,20,21)
InChIKeyOAESRVGYFOKIOO-UHFFFAOYSA-N
MW349.83 g/mol
LogP2.18
Rot. Bonds5

About N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide

N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide (PubChem CID 19150984) has the molecular formula C15H20ClN7O and a molecular weight of 349.83 g/mol. Its IUPAC name is N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide
PubChem CID19150984
Molecular FormulaC15H20ClN7O
Molecular Weight349.83 g/mol
Exact Mass349.14
IUPAC NameN'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide
SMILESCC(C)(C)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H20ClN7O/c1-15(2,3)23-21-13-11(17)12(18-8-19-13)20-22-14(24)9-4-6-10(16)7-5-9/h4-8,23H,17H2,1-3H3,(H,22,24)(H2,18,19,20,21)
InChIKeyOAESRVGYFOKIOO-UHFFFAOYSA-N
XLogP2.18
TPSA116.99 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 52.18
H-Bond Donors ≤ 55
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-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150707
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151902
N'-[5-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151006
N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22540325
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19148800
dimethyl 5-[[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547683
N'-[6-(tert-butylamino)-5-nitropyrimidin-4-yl]-4-chlorobenzohydrazide
CID 23478768
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 22545639
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide
CID 23477568
N'-[5-amino-6-(3,5-dichloroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22545003
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151022

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide (CID 19150984) is N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide is CC(C)(C)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1N.
What is the InChIKey of N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide?
The InChIKey is OAESRVGYFOKIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN7O/c1-15(2,3)23-21-13-11(17)12(18-8-19-13)20-22-14(24)9-4-6-10(16)7-5-9/h4-8,23H,17H2,1-3H3,(H,22,24)(H2,18,19,20,21).
What are the key properties of N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide?
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide has a molecular weight of 349.83 g/mol, XLogP of 2.18, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide is sourced from PubChem (CID 19150984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).