N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine

C11H12ClN5 — CID 77230922

IUPACN-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1nc(Cl)cc(NCc2ccccc2)n1
InChIInChI=1S/C11H12ClN5/c12-9-6-10(16-11(15-9)17-13)14-7-8-4-2-1-3-5-8/h1-6H,7,13H2,(H2,14,15,16,17)
InChIKeyDNNYPDZRFBEZIF-UHFFFAOYSA-N
MW249.71 g/mol
LogP2.03
Rot. Bonds4

About N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine

N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine (PubChem CID 77230922) has the molecular formula C11H12ClN5 and a molecular weight of 249.71 g/mol. Its IUPAC name is N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine
PubChem CID77230922
Molecular FormulaC11H12ClN5
Molecular Weight249.71 g/mol
Exact Mass249.08
IUPAC NameN-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1nc(Cl)cc(NCc2ccccc2)n1
InChIInChI=1S/C11H12ClN5/c12-9-6-10(16-11(15-9)17-13)14-7-8-4-2-1-3-5-8/h1-6H,7,13H2,(H2,14,15,16,17)
InChIKeyDNNYPDZRFBEZIF-UHFFFAOYSA-N
XLogP2.03
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.03
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-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
N-benzyl-6-chloro-4-iodopyridin-2-amine
CID 87184942
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
CID 100996925
N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463214
N-benzyl-4-chloroquinolin-2-amine
CID 146441058
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
methyl 2-(benzylamino)-6-chloropyridine-4-carboxylate
CID 87562356
N-benzyl-6-chloro-4-isocyanatopyridin-2-amine
CID 58636602
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956
N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720987
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine (CID 77230922) is N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine is NNc1nc(Cl)cc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is DNNYPDZRFBEZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c12-9-6-10(16-11(15-9)17-13)14-7-8-4-2-1-3-5-8/h1-6H,7,13H2,(H2,14,15,16,17).
What are the key properties of N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine?
N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 249.71 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 77230922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).