N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide

C21H18N6OS — CID 19150958

IUPACN'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(Sc2cccc3cccnc23)c1N
InChIInChI=1S/C21H18N6OS/c1-13-6-2-3-9-15(13)20(28)27-26-19-17(22)21(25-12-24-19)29-16-10-4-7-14-8-5-11-23-18(14)16/h2-12H,22H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyGZCHHNGHJRQOHR-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.82
Rot. Bonds5

About N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide

N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide (PubChem CID 19150958) has the molecular formula C21H18N6OS and a molecular weight of 402.48 g/mol. Its IUPAC name is N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide
PubChem CID19150958
Molecular FormulaC21H18N6OS
Molecular Weight402.48 g/mol
Exact Mass402.13
IUPAC NameN'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(Sc2cccc3cccnc23)c1N
InChIInChI=1S/C21H18N6OS/c1-13-6-2-3-9-15(13)20(28)27-26-19-17(22)21(25-12-24-19)29-16-10-4-7-14-8-5-11-23-18(14)16/h2-12H,22H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyGZCHHNGHJRQOHR-UHFFFAOYSA-N
XLogP3.82
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.82
H-Bond Donors ≤ 53
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-quinolin-8-ylsulfanylpyrimidin-4-yl)-4-methylbenzohydrazide
CID 19150789
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide
CID 19141803
N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150903
N'-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)benzohydrazide
CID 22535072
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150908
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19149900
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149902
4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine
CID 19154251
N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19136045
4-N-(2-methoxy-5-methylphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine
CID 22542015
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19134881
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 19144770

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide?
The IUPAC name of N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide (CID 19150958) is N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide.
What is the SMILES notation for N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide?
The canonical SMILES for N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNc1ncnc(Sc2cccc3cccnc23)c1N.
What is the InChIKey of N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide?
The InChIKey is GZCHHNGHJRQOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6OS/c1-13-6-2-3-9-15(13)20(28)27-26-19-17(22)21(25-12-24-19)29-16-10-4-7-14-8-5-11-23-18(14)16/h2-12H,22H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide?
N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide has a molecular weight of 402.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide is sourced from PubChem (CID 19150958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).