N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine

C13H17N5 — CID 80918150

IUPACN-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2)nc(NN)n1
InChIInChI=1S/C13H17N5/c1-10-8-12(16-13(15-10)17-14)18(2)9-11-6-4-3-5-7-11/h3-8H,9,14H2,1-2H3,(H,15,16,17)
InChIKeyBNSCBPNCRDLQAD-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.71
Rot. Bonds4

About N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine

N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 80918150) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
PubChem CID80918150
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2)nc(NN)n1
InChIInChI=1S/C13H17N5/c1-10-8-12(16-13(15-10)17-14)18(2)9-11-6-4-3-5-7-11/h3-8H,9,14H2,1-2H3,(H,15,16,17)
InChIKeyBNSCBPNCRDLQAD-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

2-hydrazinyl-N,6-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906970
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896376
2-hydrazinyl-N,6-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906105
4-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112912954
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916958
N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896379
4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916973
4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916961
4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112909804
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112917025
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine (CID 80918150) is N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)Cc2ccccc2)nc(NN)n1.
What is the InChIKey of N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is BNSCBPNCRDLQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-10-8-12(16-13(15-10)17-14)18(2)9-11-6-4-3-5-7-11/h3-8H,9,14H2,1-2H3,(H,15,16,17).
What are the key properties of N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine?
N-benzyl-2-hydrazinyl-N,6-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-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80918150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).