4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine

C11H12ClN5 — CID 88594326

IUPAC4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine
SMILESNc1nc(Cl)cc(NNCc2ccccc2)n1
InChIInChI=1S/C11H12ClN5/c12-9-6-10(16-11(13)15-9)17-14-7-8-4-2-1-3-5-8/h1-6,14H,7H2,(H3,13,15,16,17)
InChIKeyXGDXVSMFCHVMOK-UHFFFAOYSA-N
MW249.71 g/mol
LogP1.83
Rot. Bonds4

About 4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine

4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine (PubChem CID 88594326) has the molecular formula C11H12ClN5 and a molecular weight of 249.71 g/mol. Its IUPAC name is 4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine
PubChem CID88594326
Molecular FormulaC11H12ClN5
Molecular Weight249.71 g/mol
Exact Mass249.08
IUPAC Name4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine
SMILESNc1nc(Cl)cc(NNCc2ccccc2)n1
InChIInChI=1S/C11H12ClN5/c12-9-6-10(16-11(13)15-9)17-14-7-8-4-2-1-3-5-8/h1-6,14H,7H2,(H3,13,15,16,17)
InChIKeyXGDXVSMFCHVMOK-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-benzyl-3-phenylpropanamide
CID 136517935
6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
CID 155896810
4-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 18388121
6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
CID 100566790
N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine
CID 77230922
6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 31537803
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 71996201
6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 42943706
6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 55570136
6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine
CID 133353479
[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol
CID 86004324

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine?
The IUPAC name of 4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine (CID 88594326) is 4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine is Nc1nc(Cl)cc(NNCc2ccccc2)n1.
What is the InChIKey of 4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine?
The InChIKey is XGDXVSMFCHVMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c12-9-6-10(16-11(13)15-9)17-14-7-8-4-2-1-3-5-8/h1-6,14H,7H2,(H3,13,15,16,17).
What are the key properties of 4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine?
4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine has a molecular weight of 249.71 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine is sourced from PubChem (CID 88594326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).