N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine

C13H16ClN5 — CID 80927392

IUPACN-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1cccc(Cl)c1C
InChIInChI=1S/C13H16ClN5/c1-3-9-12(16-7-17-13(9)19-15)18-11-6-4-5-10(14)8(11)2/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyYRBZOOOZSIAHEJ-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.03
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine

N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 80927392) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
PubChem CID80927392
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC NameN-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1cccc(Cl)c1C
InChIInChI=1S/C13H16ClN5/c1-3-9-12(16-7-17-13(9)19-15)18-11-6-4-5-10(14)8(11)2/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyYRBZOOOZSIAHEJ-UHFFFAOYSA-N
XLogP3.03
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.03
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

N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103482018
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80737993
N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 107604941
N-(2,3-dichlorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80916872
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928246
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80738260
5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80927591
N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
4-N-(3-chloro-2-methylphenyl)-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22545421
4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22545331

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine (CID 80927392) is N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine is CCc1c(NN)ncnc1Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is YRBZOOOZSIAHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-3-9-12(16-7-17-13(9)19-15)18-11-6-4-5-10(14)8(11)2/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80927392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).