N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine

C13H17N5 — CID 80917919

IUPACN-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
SMILESCc1c(NN)ncnc1N(C)Cc1ccccc1
InChIInChI=1S/C13H17N5/c1-10-12(17-14)15-9-16-13(10)18(2)8-11-6-4-3-5-7-11/h3-7,9H,8,14H2,1-2H3,(H,15,16,17)
InChIKeyUZIMZELKBGWMBI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.71
Rot. Bonds4

About N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine

N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80917919) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80917919
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
SMILESCc1c(NN)ncnc1N(C)Cc1ccccc1
InChIInChI=1S/C13H17N5/c1-10-12(17-14)15-9-16-13(10)18(2)8-11-6-4-3-5-7-11/h3-7,9H,8,14H2,1-2H3,(H,15,16,17)
InChIKeyUZIMZELKBGWMBI-UHFFFAOYSA-N
XLogP1.71
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
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,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 130162876
2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80908418
6-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907283
4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22539520
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine
CID 22539506
6-hydrazinyl-N,5-dimethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80895288
4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22539657
4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539498
4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22539468
6-hydrazinyl-N-(3-methoxypropyl)-N,5-dimethylpyrimidin-4-amine
CID 80913732
5-ethyl-6-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906617
5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80932991

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine (CID 80917919) is N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine is Cc1c(NN)ncnc1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is UZIMZELKBGWMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-10-12(17-14)15-9-16-13(10)18(2)8-11-6-4-3-5-7-11/h3-7,9H,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine?
N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80917919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).