5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine

C11H11Cl2N5 — CID 80931413

IUPAC5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1ccc(Nc2nc(NN)ncc2Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N5/c1-6-2-3-7(4-8(6)12)16-10-9(13)5-15-11(17-10)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyYQYKBATXAWLGHD-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.12
Rot. Bonds3

About 5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine

5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80931413) has the molecular formula C11H11Cl2N5 and a molecular weight of 284.15 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80931413
Molecular FormulaC11H11Cl2N5
Molecular Weight284.15 g/mol
Exact Mass283.04
IUPAC Name5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1ccc(Nc2nc(NN)ncc2Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N5/c1-6-2-3-7(4-8(6)12)16-10-9(13)5-15-11(17-10)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyYQYKBATXAWLGHD-UHFFFAOYSA-N
XLogP3.12
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80919912
5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908587
N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 104728727
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80769033
tert-butyl N-[3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]phenyl]carbamate
CID 141416560
N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927485
5-chloro-N-(2,6-dichloro-4-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 83082007
5-chloro-2-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80755325
5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80926777
2-(3-chloro-4-methylanilino)pyrimidine-5-carboxylic acid
CID 82303474

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine (CID 80931413) is 5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine is Cc1ccc(Nc2nc(NN)ncc2Cl)cc1Cl.
What is the InChIKey of 5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is YQYKBATXAWLGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5/c1-6-2-3-7(4-8(6)12)16-10-9(13)5-15-11(17-10)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 284.15 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80931413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).