N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide

C19H18ClN7O2 — CID 19150707

IUPACN'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C19H18ClN7O2/c1-11-2-4-12(5-3-11)18(28)26-24-16-15(21)17(23-10-22-16)25-27-19(29)13-6-8-14(20)9-7-13/h2-10H,21H2,1H3,(H,26,28)(H,27,29)(H2,22,23,24,25)
InChIKeyHQFAUOCYOWVAQM-UHFFFAOYSA-N
MW411.85 g/mol
LogP2.53
Rot. Bonds6

About N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide

N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide (PubChem CID 19150707) has the molecular formula C19H18ClN7O2 and a molecular weight of 411.85 g/mol. Its IUPAC name is N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
PubChem CID19150707
Molecular FormulaC19H18ClN7O2
Molecular Weight411.85 g/mol
Exact Mass411.12
IUPAC NameN'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C19H18ClN7O2/c1-11-2-4-12(5-3-11)18(28)26-24-16-15(21)17(23-10-22-16)25-27-19(29)13-6-8-14(20)9-7-13/h2-10H,21H2,1H3,(H,26,28)(H,27,29)(H2,22,23,24,25)
InChIKeyHQFAUOCYOWVAQM-UHFFFAOYSA-N
XLogP2.53
TPSA134.06 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 52.53
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-(3,5-dichloroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22545003
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19150984
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19148584
N'-[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150738
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22541016
N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19150084
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'-[5-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151006
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19144912
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
N'-[6-(1-adamantylamino)-5-aminopyrimidin-4-yl]-4-methylbenzohydrazide
CID 19143484

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide?
The IUPAC name of N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide (CID 19150707) is N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide?
The InChIKey is HQFAUOCYOWVAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O2/c1-11-2-4-12(5-3-11)18(28)26-24-16-15(21)17(23-10-22-16)25-27-19(29)13-6-8-14(20)9-7-13/h2-10H,21H2,1H3,(H,26,28)(H,27,29)(H2,22,23,24,25).
What are the key properties of N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide?
N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide has a molecular weight of 411.85 g/mol, XLogP of 2.53, 6 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-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide is sourced from PubChem (CID 19150707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).