N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine

C11H12ClN5 — CID 80919851

IUPACN-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(NN)ncn2)c(Cl)c1
InChIInChI=1S/C11H12ClN5/c1-7-2-3-9(8(12)4-7)16-10-5-11(17-13)15-6-14-10/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKeyYNNOOKSJPJZCPP-UHFFFAOYSA-N
MW249.71 g/mol
LogP2.47
Rot. Bonds3

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

N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80919851) has the molecular formula C11H12ClN5 and a molecular weight of 249.71 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80919851
Molecular FormulaC11H12ClN5
Molecular Weight249.71 g/mol
Exact Mass249.08
IUPAC NameN-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(NN)ncn2)c(Cl)c1
InChIInChI=1S/C11H12ClN5/c1-7-2-3-9(8(12)4-7)16-10-5-11(17-13)15-6-14-10/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKeyYNNOOKSJPJZCPP-UHFFFAOYSA-N
XLogP2.47
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.47
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-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80969702
N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946977
N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282579
4-N-(2-chloro-4-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755521
4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine
CID 80772607
N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 81272468
4-chloro-3-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80926363
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80754804
4-N-(2-chloro-4-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755520
4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80755241
5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine
CID 55252301

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine (CID 80919851) is N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine is Cc1ccc(Nc2cc(NN)ncn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is YNNOOKSJPJZCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c1-7-2-3-9(8(12)4-7)16-10-5-11(17-13)15-6-14-10/h2-6H,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine?
N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 249.71 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80919851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).