[2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine

C13H15ClN4 — CID 106818477

IUPAC[2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1ccc(-c2nc(C)c(C)c(NN)n2)cc1Cl
InChIInChI=1S/C13H15ClN4/c1-7-4-5-10(6-11(7)14)13-16-9(3)8(2)12(17-13)18-15/h4-6H,15H2,1-3H3,(H,16,17,18)
InChIKeyOFTNRJHBGCASFF-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.01
Rot. Bonds2

About [2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine

[2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 106818477) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is [2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
PubChem CID106818477
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name[2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1ccc(-c2nc(C)c(C)c(NN)n2)cc1Cl
InChIInChI=1S/C13H15ClN4/c1-7-4-5-10(6-11(7)14)13-16-9(3)8(2)12(17-13)18-15/h4-6H,15H2,1-3H3,(H,16,17,18)
InChIKeyOFTNRJHBGCASFF-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252586
[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252767
[2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62252025
[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62252059
[2-(4-chloro-3-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66000257
4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine
CID 106818019
[5,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]hydrazine
CID 62252624
[2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 55181402
2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 113337298
[5,6-dimethyl-2-(2-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252584
[2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 65022452
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine
CID 106818017

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine (CID 106818477) is [2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine is Cc1ccc(-c2nc(C)c(C)c(NN)n2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is OFTNRJHBGCASFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-7-4-5-10(6-11(7)14)13-16-9(3)8(2)12(17-13)18-15/h4-6H,15H2,1-3H3,(H,16,17,18).
What are the key properties of [2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
[2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 262.74 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106818477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).