N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide

C18H16BrN5OS — CID 19149902

IUPACN'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide
SMILESCc1ccc(Sc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1
InChIInChI=1S/C18H16BrN5OS/c1-11-6-8-12(9-7-11)26-18-15(20)16(21-10-22-18)23-24-17(25)13-4-2-3-5-14(13)19/h2-10H,20H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyMUMMAAACBZJIRP-UHFFFAOYSA-N
MW430.33 g/mol
LogP4.04
Rot. Bonds5

About N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide

N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide (PubChem CID 19149902) has the molecular formula C18H16BrN5OS and a molecular weight of 430.33 g/mol. Its IUPAC name is N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide
PubChem CID19149902
Molecular FormulaC18H16BrN5OS
Molecular Weight430.33 g/mol
Exact Mass429.03
IUPAC NameN'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide
SMILESCc1ccc(Sc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1
InChIInChI=1S/C18H16BrN5OS/c1-11-6-8-12(9-7-11)26-18-15(20)16(21-10-22-18)23-24-17(25)13-4-2-3-5-14(13)19/h2-10H,20H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyMUMMAAACBZJIRP-UHFFFAOYSA-N
XLogP4.04
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19149900
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19148592
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151374
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19149909
N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151370
N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide
CID 19151380
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151417
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149616
4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149890
N'-[5-amino-6-(naphthalen-1-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19145054
N'-[5-amino-6-(3,4-difluoroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151410
N'-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19138617

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide (CID 19149902) is N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide is Cc1ccc(Sc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide?
The InChIKey is MUMMAAACBZJIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5OS/c1-11-6-8-12(9-7-11)26-18-15(20)16(21-10-22-18)23-24-17(25)13-4-2-3-5-14(13)19/h2-10H,20H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide?
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide has a molecular weight of 430.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide is sourced from PubChem (CID 19149902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).