N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide

C21H19N7O — CID 19150903

IUPACN'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(Nc2cccc3ncccc23)c1N
InChIInChI=1S/C21H19N7O/c1-13-6-2-3-7-14(13)21(29)28-27-20-18(22)19(24-12-25-20)26-17-10-4-9-16-15(17)8-5-11-23-16/h2-12H,22H2,1H3,(H,28,29)(H2,24,25,26,27)
InChIKeyZTLPAARSZKFLRS-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.42
Rot. Bonds5

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

N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide (PubChem CID 19150903) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
PubChem CID19150903
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(Nc2cccc3ncccc23)c1N
InChIInChI=1S/C21H19N7O/c1-13-6-2-3-7-14(13)21(29)28-27-20-18(22)19(24-12-25-20)26-17-10-4-9-16-15(17)8-5-11-23-16/h2-12H,22H2,1H3,(H,28,29)(H2,24,25,26,27)
InChIKeyZTLPAARSZKFLRS-UHFFFAOYSA-N
XLogP3.42
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19152023
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22547281
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19146738
2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22535872
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150925
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19150697
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
N'-[5-amino-6-(naphthalen-1-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19145054
2-methoxy-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22536109
N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19152855
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide
CID 19141803

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The IUPAC name of N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide (CID 19150903) is N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNc1ncnc(Nc2cccc3ncccc23)c1N.
What is the InChIKey of N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The InChIKey is ZTLPAARSZKFLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-13-6-2-3-7-14(13)21(29)28-27-20-18(22)19(24-12-25-20)26-17-10-4-9-16-15(17)8-5-11-23-16/h2-12H,22H2,1H3,(H,28,29)(H2,24,25,26,27).
What are the key properties of N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide has a molecular weight of 385.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide is sourced from PubChem (CID 19150903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).