N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine

C14H19N5 — CID 80895038

IUPACN-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCCCc1ccc(Nc2cc(NN)ncn2)cc1
InChIInChI=1S/C14H19N5/c1-2-3-4-11-5-7-12(8-6-11)18-13-9-14(19-15)17-10-16-13/h5-10H,2-4,15H2,1H3,(H2,16,17,18,19)
InChIKeyOIUJSDAJEWZLQB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.85
Rot. Bonds6

About N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine

N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80895038) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80895038
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCCCc1ccc(Nc2cc(NN)ncn2)cc1
InChIInChI=1S/C14H19N5/c1-2-3-4-11-5-7-12(8-6-11)18-13-9-14(19-15)17-10-16-13/h5-10H,2-4,15H2,1H3,(H2,16,17,18,19)
InChIKeyOIUJSDAJEWZLQB-UHFFFAOYSA-N
XLogP2.85
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.85
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

6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894746
N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928200
N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895220
6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80907992
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968434
6-hydrazinyl-N-(4-iodophenyl)pyrimidin-4-amine
CID 80927130
4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80780181
2-(4-butylanilino)pyridine-4-carboxylic acid
CID 43244051
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172
N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876804
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine (CID 80895038) is N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine is CCCCc1ccc(Nc2cc(NN)ncn2)cc1.
What is the InChIKey of N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is OIUJSDAJEWZLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-3-4-11-5-7-12(8-6-11)18-13-9-14(19-15)17-10-16-13/h5-10H,2-4,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine?
N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80895038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).